 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Boat_STD_LCPBE_augccpVDZ.in
 Output=25_methylisochromane_Boat_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/25_methylisochromane_Boat_STD/Gau-4428.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/25_methylisochromane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      4430.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                19-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=25_methylisochromane_Boat_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=025000
 0000,3/108=0250000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=250000000,108=250000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Jul 19 17:09:20 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "25_methylisochromane_Boat_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.556893000000      0.962771000000     -0.130925000000
  C                                                 2.806469000000     -0.381564000000      0.128707000000
  C                                                 1.251477000000      1.398833000000     -0.297104000000
  C                                                 0.177898000000      0.511952000000     -0.211676000000
  C                                                 0.433041000000     -0.835657000000      0.047582000000
  C                                                 1.746757000000     -1.271183000000      0.213760000000
  C                                                -1.245374000000      1.001383000000     -0.374974000000
  C                                                -2.153843000000     -0.180074000000     -0.705730000000
  O                                                -1.975330000000     -1.227911000000      0.235605000000
  C                                                -0.702105000000     -1.829642000000      0.110251000000
  H                                                 3.377111000000      1.665240000000     -0.203600000000
  H                                                 3.821503000000     -0.731857000000      0.264537000000
  H                                                 1.055538000000      2.445124000000     -0.502408000000
  H                                                 1.938106000000     -2.319299000000      0.415829000000
  H                                                -1.275680000000      1.696610000000     -1.220779000000
  C                                                -1.728541000000      1.739012000000      0.880156000000
  H                                                -1.947031000000     -0.549488000000     -1.719780000000
  H                                                -3.204706000000      0.105294000000     -0.652132000000
  H                                                -0.679840000000     -2.462779000000     -0.790780000000
  H                                                -0.587050000000     -2.485409000000      0.974413000000
  H                                                -1.772163000000      1.053131000000      1.726763000000
  H                                                -2.725724000000      2.156512000000      0.723367000000
  H                                                -1.053454000000      2.555217000000      1.139441000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Jul 19 17:09:21 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391738   0.000000
     3  C    1.386318   2.401901   0.000000
     4  C    2.422679   2.797073   1.395144   0.000000
     5  C    2.788719   2.417838   2.404494   1.395838   0.000000
     6  C    2.401183   1.386234   2.763199   2.412858   1.393968
     7  C    3.810287   4.310878   2.529485   1.513906   2.523955
     8  C    4.881345   5.034042   3.775729   2.481936   2.772947
     9  O    5.047225   4.857297   4.194740   2.804207   2.447339
    10  C    4.298465   3.795703   3.795454   2.522123   1.510129
    11  H    1.082359   2.150690   2.144303   3.400750   3.871063
    12  H    2.151138   1.082335   3.385309   3.879394   3.396987
    13  H    2.142297   3.384410   1.084097   2.142879   3.384304
    14  H    3.384349   2.142734   3.847628   3.392356   2.145232
    15  H    4.051533   4.775339   2.707096   2.129458   3.307695
    16  C    4.470993   5.062394   3.222138   2.516403   3.463313
    17  H    5.009663   5.103025   4.006297   2.813602   2.978289
    18  H    5.848329   6.081198   4.653693   3.435314   3.822066
    19  H    4.758807   4.163083   4.345774   3.149619   2.142167
    20  H    4.795424   4.081342   4.481548   3.313024   2.149717
    21  H    4.711677   5.057272   3.654852   2.802349   3.354116
    22  H    5.482780   6.115604   4.175352   3.465531   4.403130
    23  H    4.145397   4.954318   2.951879   2.741656   3.860032
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.803158   0.000000
     8  C    4.153392   1.526616   0.000000
     9  O    3.722403   2.423921   1.419838   0.000000
    10  C    2.513865   2.923232   2.344023   1.413823   0.000000
    11  H    3.384498   4.673055   5.852245   6.100152   5.380772
    12  H    2.144300   5.393175   6.078704   5.818091   4.657463
    13  H    3.847287   2.719342   4.151281   4.818922   4.662433
    14  H    1.084432   4.667638   4.751655   4.066767   2.702565
    15  H    4.472228   1.095283   2.135038   3.341166   3.812490
    16  C    4.645757   1.533916   2.525630   3.046142   3.792310
    17  H    4.231252   2.169338   1.098879   2.069925   2.556883
    18  H    5.211664   2.172274   1.090239   2.019128   3.253954
    19  H    2.883986   3.534564   2.718577   2.063167   1.101460
    20  H    2.738538   3.796308   3.254580   2.013569   1.090891
    21  H    4.480448   2.167368   2.753815   2.732761   3.473977
    22  H    5.657904   2.175342   2.798035   3.500760   4.512247
    23  H    4.831087   2.178230   3.478121   3.997353   4.517706
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.482481   0.000000
    13  H    2.467226   4.281586   0.000000
    14  H    4.281469   2.467802   4.931715   0.000000
    15  H    4.762783   5.838227   2.551648   5.397632   0.000000
    16  C    5.219928   6.106322   3.187660   5.489061   2.149607
    17  H    5.962408   6.103012   4.411929   4.773609   2.396804
    18  H    6.779006   7.135034   4.862808   5.785128   2.564525
    19  H    5.817574   4.936788   5.213656   2.886197   4.223795
    20  H    5.859196   4.797313   5.402708   2.591529   4.773087
    21  H    5.533173   6.050900   3.860407   5.182464   3.057542
    22  H    6.192351   7.170731   3.985444   6.471381   2.468571
    23  H    4.714417   5.944369   2.675002   5.764890   2.521355
                   16         17         18         19         20
    16  C    0.000000
    17  H    3.470538   0.000000
    18  H    2.682537   1.774925   0.000000
    19  H    4.641858   2.475782   3.604049   0.000000
    20  H    4.376942   3.585528   4.026104   1.767775   0.000000
    21  H    1.090449   3.804947   2.934232   4.460136   3.806808
    22  H    1.092366   3.727971   2.515734   5.274100   5.117068
    23  H    1.090487   4.314257   3.720180   5.389399   5.064847
                   21         22         23
    21  H    0.000000
    22  H    1.770178   0.000000
    23  H    1.765716   1.768776   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.64D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9809331           1.0075309           0.7304582
 Leave Link  202 at Mon Jul 19 17:09:21 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 404 were deleted.
 There are   383 symmetry adapted cartesian basis functions of A   symmetry.
 There are   361 symmetry adapted basis functions of A   symmetry.
   361 basis functions,   661 primitive gaussians,   383 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       608.7582623565 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Jul 19 17:09:24 2021, MaxMem=  5637144576 cpu:              15.8 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   361 RedAO= T EigKep=  1.17D-06  NBF=   361
 NBsUse=   361 1.00D-06 EigRej= -1.00D+00 NBFU=   361
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   383   383   383   383   383 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Mon Jul 19 17:09:25 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Jul 19 17:09:25 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Boat_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Jul 19 17:09:26 2021, MaxMem=  5637144576 cpu:               4.9 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636844431 LenY=  5636697301
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -462.120897297334    
 DIIS: error= 2.81D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -462.120897297334     IErMin= 1 ErrMin= 2.81D-03
 ErrMax= 2.81D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-02 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.81D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.370 Goal=   None    Shift=    0.000
 GapD=    0.370 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.61D-02 MaxDP=4.15D+00              OVMax= 1.65D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.92D-02    CP:  1.39D+00
 E= -462.130774094845     Delta-E=       -0.009876797511 Rises=F Damp=F
 DIIS: error= 1.38D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -462.130774094845     IErMin= 2 ErrMin= 1.38D-03
 ErrMax= 1.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-03 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.38D-02
 Coeff-Com:  0.138D+00 0.862D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.136D+00 0.864D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=8.37D-03 MaxDP=6.42D-01 DE=-9.88D-03 OVMax= 9.95D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.90D-03    CP:  1.46D+00  1.13D+00
 E= -462.130970093344     Delta-E=       -0.000195998499 Rises=F Damp=F
 DIIS: error= 1.33D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -462.130970093344     IErMin= 3 ErrMin= 1.33D-03
 ErrMax= 1.33D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-03 BMatP= 1.45D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.33D-02
 Coeff-Com: -0.251D-01 0.490D+00 0.535D+00
 Coeff-En:   0.000D+00 0.450D+00 0.550D+00
 Coeff:     -0.247D-01 0.490D+00 0.535D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=2.33D-03 MaxDP=1.70D-01 DE=-1.96D-04 OVMax= 5.67D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.51D-04    CP:  1.48D+00  1.17D+00  1.20D+00
 E= -462.131875915114     Delta-E=       -0.000905821770 Rises=F Damp=F
 DIIS: error= 9.24D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -462.131875915114     IErMin= 4 ErrMin= 9.24D-05
 ErrMax= 9.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-05 BMatP= 1.29D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.959D-02 0.753D-01 0.140D+00 0.794D+00
 Coeff:     -0.959D-02 0.753D-01 0.140D+00 0.794D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=5.32D-04 MaxDP=4.07D-02 DE=-9.06D-04 OVMax= 8.70D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.55D-04    CP:  1.48D+00  1.18D+00  1.24D+00  1.11D+00
 E= -462.131888421564     Delta-E=       -0.000012506450 Rises=F Damp=F
 DIIS: error= 3.91D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -462.131888421564     IErMin= 5 ErrMin= 3.91D-05
 ErrMax= 3.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-06 BMatP= 1.43D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.764D-03-0.309D-01-0.953D-02 0.279D+00 0.763D+00
 Coeff:     -0.764D-03-0.309D-01-0.953D-02 0.279D+00 0.763D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.39D-04 MaxDP=9.65D-03 DE=-1.25D-05 OVMax= 3.07D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.18D-05    CP:  1.48D+00  1.18D+00  1.27D+00  1.18D+00  1.04D+00
 E= -462.131890444058     Delta-E=       -0.000002022495 Rises=F Damp=F
 DIIS: error= 9.82D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -462.131890444058     IErMin= 6 ErrMin= 9.82D-06
 ErrMax= 9.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-07 BMatP= 1.81D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.422D-03-0.139D-01-0.112D-01 0.384D-01 0.233D+00 0.753D+00
 Coeff:      0.422D-03-0.139D-01-0.112D-01 0.384D-01 0.233D+00 0.753D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.87D-05 MaxDP=7.42D-04 DE=-2.02D-06 OVMax= 1.53D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.27D-05    CP:  1.48D+00  1.18D+00  1.27D+00  1.19D+00  1.08D+00
                    CP:  1.16D+00
 E= -462.131890565193     Delta-E=       -0.000000121135 Rises=F Damp=F
 DIIS: error= 4.00D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -462.131890565193     IErMin= 7 ErrMin= 4.00D-06
 ErrMax= 4.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.19D-08 BMatP= 1.01D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.300D-03-0.322D-02-0.413D-02-0.112D-01 0.233D-01 0.339D+00
 Coeff-Com:  0.655D+00
 Coeff:      0.300D-03-0.322D-02-0.413D-02-0.112D-01 0.233D-01 0.339D+00
 Coeff:      0.655D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=9.34D-06 MaxDP=5.70D-04 DE=-1.21D-07 OVMax= 5.02D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.08D-06    CP:  1.48D+00  1.18D+00  1.27D+00  1.19D+00  1.09D+00
                    CP:  1.21D+00  1.02D+00
 E= -462.131890591690     Delta-E=       -0.000000026497 Rises=F Damp=F
 DIIS: error= 1.01D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -462.131890591690     IErMin= 8 ErrMin= 1.01D-06
 ErrMax= 1.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-09 BMatP= 2.19D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.269D-05 0.112D-02 0.634D-03-0.850D-02-0.291D-01-0.118D-01
 Coeff-Com:  0.168D+00 0.880D+00
 Coeff:      0.269D-05 0.112D-02 0.634D-03-0.850D-02-0.291D-01-0.118D-01
 Coeff:      0.168D+00 0.880D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=5.38D-06 MaxDP=3.66D-04 DE=-2.65D-08 OVMax= 2.28D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.29D-06    CP:  1.48D+00  1.18D+00  1.27D+00  1.20D+00  1.10D+00
                    CP:  1.23D+00  1.11D+00  1.10D+00
 E= -462.131890594048     Delta-E=       -0.000000002359 Rises=F Damp=F
 DIIS: error= 3.26D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -462.131890594048     IErMin= 9 ErrMin= 3.26D-07
 ErrMax= 3.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-10 BMatP= 1.25D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.199D-04 0.674D-03 0.565D-03-0.253D-02-0.133D-01-0.291D-01
 Coeff-Com:  0.127D-01 0.347D+00 0.684D+00
 Coeff:     -0.199D-04 0.674D-03 0.565D-03-0.253D-02-0.133D-01-0.291D-01
 Coeff:      0.127D-01 0.347D+00 0.684D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=8.24D-07 MaxDP=5.53D-05 DE=-2.36D-09 OVMax= 5.51D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.76D-07    CP:  1.48D+00  1.18D+00  1.27D+00  1.20D+00  1.10D+00
                    CP:  1.24D+00  1.12D+00  1.12D+00  9.35D-01
 E= -462.131890594197     Delta-E=       -0.000000000149 Rises=F Damp=F
 DIIS: error= 1.27D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -462.131890594197     IErMin=10 ErrMin= 1.27D-07
 ErrMax= 1.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-11 BMatP= 1.81D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.758D-05 0.459D-04 0.932D-04 0.576D-03 0.389D-03-0.680D-02
 Coeff-Com: -0.244D-01-0.239D-01 0.213D+00 0.841D+00
 Coeff:     -0.758D-05 0.459D-04 0.932D-04 0.576D-03 0.389D-03-0.680D-02
 Coeff:     -0.244D-01-0.239D-01 0.213D+00 0.841D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=3.04D-07 MaxDP=1.62D-05 DE=-1.49D-10 OVMax= 2.64D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.31D-07    CP:  1.48D+00  1.18D+00  1.27D+00  1.20D+00  1.10D+00
                    CP:  1.24D+00  1.12D+00  1.13D+00  1.02D+00  9.33D-01
 E= -462.131890594281     Delta-E=       -0.000000000084 Rises=F Damp=F
 DIIS: error= 2.88D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -462.131890594281     IErMin=11 ErrMin= 2.88D-08
 ErrMax= 2.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-12 BMatP= 1.74D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-06-0.473D-04-0.263D-04 0.379D-03 0.121D-02 0.645D-03
 Coeff-Com: -0.787D-02-0.360D-01-0.312D-02 0.216D+00 0.828D+00
 Coeff:     -0.154D-06-0.473D-04-0.263D-04 0.379D-03 0.121D-02 0.645D-03
 Coeff:     -0.787D-02-0.360D-01-0.312D-02 0.216D+00 0.828D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.48D-07 MaxDP=9.37D-06 DE=-8.37D-11 OVMax= 7.31D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.50D-08    CP:  1.48D+00  1.18D+00  1.27D+00  1.20D+00  1.10D+00
                    CP:  1.24D+00  1.12D+00  1.13D+00  1.01D+00  9.67D-01
                    CP:  1.12D+00
 E= -462.131890594266     Delta-E=        0.000000000015 Rises=F Damp=F
 DIIS: error= 1.36D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -462.131890594281     IErMin=12 ErrMin= 1.36D-08
 ErrMax= 1.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-13 BMatP= 1.30D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.575D-06-0.231D-04-0.197D-04 0.104D-03 0.440D-03 0.936D-03
 Coeff-Com: -0.674D-03-0.122D-01-0.232D-01 0.318D-02 0.368D+00 0.663D+00
 Coeff:      0.575D-06-0.231D-04-0.197D-04 0.104D-03 0.440D-03 0.936D-03
 Coeff:     -0.674D-03-0.122D-01-0.232D-01 0.318D-02 0.368D+00 0.663D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=3.96D-08 MaxDP=2.93D-06 DE= 1.46D-11 OVMax= 2.69D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.32D-08    CP:  1.48D+00  1.18D+00  1.27D+00  1.20D+00  1.10D+00
                    CP:  1.24D+00  1.12D+00  1.13D+00  1.01D+00  9.65D-01
                    CP:  1.18D+00  1.04D+00
 E= -462.131890594299     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 4.89D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -462.131890594299     IErMin=13 ErrMin= 4.89D-09
 ErrMax= 4.89D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-14 BMatP= 3.16D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.264D-06-0.151D-05-0.374D-05-0.160D-04-0.231D-04 0.231D-03
 Coeff-Com:  0.905D-03 0.838D-03-0.768D-02-0.308D-01 0.337D-02 0.205D+00
 Coeff-Com:  0.828D+00
 Coeff:      0.264D-06-0.151D-05-0.374D-05-0.160D-04-0.231D-04 0.231D-03
 Coeff:      0.905D-03 0.838D-03-0.768D-02-0.308D-01 0.337D-02 0.205D+00
 Coeff:      0.828D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.25D-08 MaxDP=6.39D-07 DE=-3.27D-11 OVMax= 1.08D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.14D-09    CP:  1.48D+00  1.18D+00  1.27D+00  1.20D+00  1.10D+00
                    CP:  1.24D+00  1.12D+00  1.13D+00  1.01D+00  9.64D-01
                    CP:  1.20D+00  1.14D+00  1.02D+00
 E= -462.131890594315     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 1.73D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -462.131890594315     IErMin=14 ErrMin= 1.73D-09
 ErrMax= 1.73D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-15 BMatP= 2.57D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-07 0.228D-05 0.957D-06-0.191D-04-0.634D-04-0.272D-04
 Coeff-Com:  0.425D-03 0.181D-02 0.125D-03-0.115D-01-0.425D-01-0.105D-01
 Coeff-Com:  0.311D+00 0.751D+00
 Coeff:      0.311D-07 0.228D-05 0.957D-06-0.191D-04-0.634D-04-0.272D-04
 Coeff:      0.425D-03 0.181D-02 0.125D-03-0.115D-01-0.425D-01-0.105D-01
 Coeff:      0.311D+00 0.751D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=3.08D-09 MaxDP=1.53D-07 DE=-1.57D-11 OVMax= 3.79D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -462.131890594     A.U. after   14 cycles
            NFock= 14  Conv=0.31D-08     -V/T= 2.0047
 KE= 4.599828047389D+02 PE=-2.293477714995D+03 EE= 7.626047573054D+02
 Leave Link  502 at Mon Jul 19 17:19:08 2021, MaxMem=  5637144576 cpu:            4641.4 elap:             581.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   361
 NBasis=   361 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    361 NOA=    40 NOB=    40 NVA=   321 NVB=   321

 **** Warning!!: The largest alpha MO coefficient is  0.12357142D+03

 Leave Link  801 at Mon Jul 19 17:19:08 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7107 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.14D-13 8.33D-09 XBig12= 1.00D+00 2.73D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.14D-13 8.33D-09 XBig12= 2.09D-01 4.83D-02.
     11 vectors produced by pass  2 Test12= 2.14D-13 8.33D-09 XBig12= 4.62D-02 4.84D-02.
     11 vectors produced by pass  3 Test12= 2.14D-13 8.33D-09 XBig12= 4.23D-03 1.11D-02.
     11 vectors produced by pass  4 Test12= 2.14D-13 8.33D-09 XBig12= 5.36D-04 3.84D-03.
     11 vectors produced by pass  5 Test12= 2.14D-13 8.33D-09 XBig12= 3.31D-05 7.44D-04.
     11 vectors produced by pass  6 Test12= 2.14D-13 8.33D-09 XBig12= 1.40D-06 2.47D-04.
     11 vectors produced by pass  7 Test12= 2.14D-13 8.33D-09 XBig12= 5.17D-08 3.52D-05.
     11 vectors produced by pass  8 Test12= 2.14D-13 8.33D-09 XBig12= 1.62D-09 5.04D-06.
     11 vectors produced by pass  9 Test12= 2.14D-13 8.33D-09 XBig12= 5.13D-11 9.37D-07.
      8 vectors produced by pass 10 Test12= 2.14D-13 8.33D-09 XBig12= 1.47D-12 1.64D-07.
      5 vectors produced by pass 11 Test12= 2.14D-13 8.33D-09 XBig12= 4.11D-14 1.96D-08.
      1 vectors produced by pass 12 Test12= 2.14D-13 8.33D-09 XBig12= 3.00D-14 1.65D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   124 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.152086D+03
      2 -0.233996D+01  0.133162D+03
      3  0.267630D+01 -0.373533D+01  0.888130D+02
 Isotropic polarizability for W=    0.085645      124.69 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.142388D+03  0.154687D+02  0.366467D+01
      2  -0.732738D+02  0.480550D+01  0.103037D+02
      3  -0.691144D+02 -0.202742D+02 -0.139684D+02
      4   0.517568D+02  0.660090D+02 -0.284040D+02
      5   0.181969D+01 -0.298386D+02 -0.182089D+02
      6  -0.135408D+02  0.742856D+01  0.157730D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.209902D+01 -0.564001D+01 -0.117858D+02
      2   0.753233D+01 -0.122482D+02 -0.522890D+01
      3   0.515277D+01 -0.494244D+02  0.939758D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.143456D+01 -0.287518D+01 -0.360472D+02
      2   0.184498D+01 -0.148632D+02  0.509055D+02
      3   0.362881D+02 -0.139283D+03  0.162977D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.178397D+01 -0.601856D+00  0.168837D+01
      2  -0.601856D+00  0.203250D+01  0.261616D+01
      3   0.168837D+01  0.261616D+01 -0.100017D+01
 OR G Eigenvalues:    -3.9515    -0.3616     3.5614  Iso=     0.2505
 Eigenvectors:
   (1)  -0.633275  -0.362613   0.683721
   (2)   0.771077  -0.371367   0.517230
   (3)   0.066357   0.854750   0.514780
 w=    0.085645 a.u., Optical Rotation Beta=      0.2505 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =       80.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   65341 ScalPx= 3.03D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.16D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.57D-14 2.78D-09 XBig12= 1.00D+00 3.04D-01.
     30 vectors produced by pass  1 Test12= 3.57D-14 2.78D-09 XBig12= 3.34D-02 2.55D-02.
     30 vectors produced by pass  2 Test12= 3.57D-14 2.78D-09 XBig12= 2.24D-03 6.00D-03.
     30 vectors produced by pass  3 Test12= 3.57D-14 2.78D-09 XBig12= 3.06D-05 6.67D-04.
     30 vectors produced by pass  4 Test12= 3.57D-14 2.78D-09 XBig12= 6.16D-07 1.01D-04.
     30 vectors produced by pass  5 Test12= 3.57D-14 2.78D-09 XBig12= 1.11D-08 1.11D-05.
     30 vectors produced by pass  6 Test12= 3.57D-14 2.78D-09 XBig12= 1.32D-10 1.05D-06.
     30 vectors produced by pass  7 Test12= 3.57D-14 2.78D-09 XBig12= 1.02D-12 9.38D-08.
     19 vectors produced by pass  8 Test12= 3.57D-14 2.78D-09 XBig12= 1.35D-14 1.14D-08.
      7 vectors produced by pass  9 Test12= 3.57D-14 2.78D-09 XBig12= 1.88D-15 5.21D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   266 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 5.52D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 5.52D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.76D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152086D+03 -0.233996D+01  0.267630D+01
      2  -0.233996D+01  0.133162D+03 -0.373533D+01
      3   0.267630D+01 -0.373533D+01  0.888130D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.209902D+01 -0.564001D+01 -0.117858D+02
      2   0.753233D+01 -0.122482D+02 -0.522890D+01
      3   0.515277D+01 -0.494244D+02  0.939758D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.142388D+03  0.154687D+02  0.366467D+01
      2  -0.732738D+02  0.480550D+01  0.103037D+02
      3  -0.691144D+02 -0.202742D+02 -0.139684D+02
      4   0.517568D+02  0.660090D+02 -0.284040D+02
      5   0.181969D+01 -0.298386D+02 -0.182089D+02
      6  -0.135408D+02  0.742856D+01  0.157730D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.204031D+01  0.185522D+01 -0.351032D+00  0.452882D+01 -0.101185D+01
      2   0.185522D+01  0.186640D+01 -0.564176D+00 -0.101185D+01  0.249905D+01
      3  -0.351032D+00 -0.564176D+00  0.218630D+01  0.945581D+00  0.975716D+00
                 6             7             8             9            10 
      1   0.945581D+00 -0.132945D+01  0.807234D+00  0.421540D+01  0.506685D+01
      2   0.975716D+00  0.807234D+00  0.716650D+00  0.290962D+01 -0.113798D+01
      3   0.177957D+01  0.421540D+01  0.290962D+01 -0.795372D+00 -0.425340D+00
                11            12            13            14            15 
      1  -0.113798D+01 -0.425340D+00 -0.227162D+01 -0.154550D+01  0.117266D+01
      2   0.256130D+01 -0.739683D-01 -0.154550D+01 -0.267309D+01 -0.769101D+00
      3  -0.739683D-01  0.250840D+01  0.117266D+01 -0.769101D+00 -0.777317D+00
                16            17            18            19            20 
      1  -0.206885D-02  0.126207D+01  0.510423D+01  0.146177D+00 -0.482535D+01
      2   0.126207D+01  0.155159D+00 -0.136680D+01 -0.482535D+01  0.815077D-02
      3   0.510423D+01 -0.136680D+01  0.135796D+01  0.307072D+00 -0.241071D+00
                21            22            23            24            25 
      1   0.307072D+00  0.456278D+01 -0.951030D+00 -0.148088D+00 -0.821027D+00
      2  -0.241071D+00 -0.951030D+00  0.182063D+01  0.988396D+00 -0.102643D+01
      3  -0.771336D+00 -0.148088D+00  0.988396D+00  0.163227D+01  0.531447D-01
                26            27            28            29            30 
      1  -0.102643D+01  0.531447D-01 -0.124826D+02  0.576256D+01 -0.352131D+00
      2   0.129662D+01  0.344838D+01  0.576256D+01 -0.587094D+01  0.278567D+00
      3   0.344838D+01 -0.203030D+01 -0.352131D+00  0.278567D+00 -0.166946D+01
                31            32            33            34            35 
      1   0.978382D+01  0.134709D+01 -0.663020D+00 -0.166943D+01 -0.918747D+00
      2   0.134709D+01  0.272299D+01 -0.313241D+00 -0.918747D+00 -0.159230D+00
      3  -0.663020D+00 -0.313241D+00  0.418387D+00 -0.307506D+01  0.174616D+01
                36            37            38            39            40 
      1  -0.307506D+01 -0.188059D+01 -0.466107D+01  0.550259D+00 -0.132581D+02
      2   0.174616D+01 -0.466107D+01 -0.660757D+01  0.314619D+00 -0.291281D+01
      3  -0.946371D+00  0.550259D+00  0.314619D+00 -0.123037D+01 -0.461994D+00
                41            42            43            44            45 
      1  -0.291281D+01 -0.461994D+00  0.269111D+01 -0.174743D+00 -0.196148D+01
      2  -0.604270D+01 -0.226211D+00 -0.174743D+00 -0.665545D+00 -0.280461D+01
      3  -0.226211D+00 -0.809699D+00 -0.196148D+01 -0.280461D+01  0.478581D+00
                46            47            48            49            50 
      1  -0.290196D+01  0.374400D+01 -0.300012D+00 -0.403978D+01  0.530814D+00
      2   0.374400D+01  0.243026D+01  0.355423D+00  0.530814D+00 -0.108123D+01
      3  -0.300012D+00  0.355423D+00 -0.438322D+00 -0.215371D-02 -0.884458D+00
                51            52            53            54            55 
      1  -0.215371D-02  0.532886D+00  0.502608D+00  0.133630D+01  0.221645D+01
      2  -0.884458D+00  0.502608D+00 -0.137554D+01 -0.335359D+01 -0.987015D+00
      3  -0.187208D+01  0.133630D+01 -0.335359D+01  0.196612D+01 -0.248347D+00
                56            57            58            59            60 
      1  -0.987015D+00 -0.248347D+00 -0.295973D+01  0.440782D+01  0.121026D+01
      2   0.304456D+01  0.157180D+01  0.440782D+01 -0.188678D+01  0.210306D+01
      3   0.157180D+01  0.192654D+01  0.121026D+01  0.210306D+01 -0.385805D+01
                61            62            63            64            65 
      1  -0.196899D+01  0.185089D+01  0.328132D+01  0.682644D+01 -0.245169D+01
      2   0.185089D+01  0.911616D+00 -0.485633D+01 -0.245169D+01 -0.166679D+01
      3   0.328132D+01 -0.485633D+01  0.170942D+01  0.286111D-01 -0.976855D+00
                66            67            68            69            70 
      1   0.286111D-01 -0.387820D+01 -0.608874D+00 -0.106531D+01 -0.285902D+00
      2  -0.976855D+00 -0.608874D+00  0.321054D+00 -0.131123D+01 -0.442418D+00
      3  -0.223733D+01 -0.106531D+01 -0.131123D+01  0.149130D+01  0.250982D+00
                71            72            73            74            75 
      1  -0.442418D+00  0.250982D+00 -0.574975D+01 -0.865322D+00  0.104757D+01
      2  -0.904780D+00  0.357196D+01 -0.865322D+00  0.139473D+01  0.103743D+01
      3   0.357196D+01  0.699869D+01  0.104757D+01  0.103743D+01  0.287029D+00
                76            77            78            79            80 
      1   0.498310D+00 -0.184125D+01  0.682896D+00  0.119000D+01  0.467337D-01
      2  -0.184125D+01 -0.313149D+01  0.102449D+01  0.467337D-01  0.125057D+01
      3   0.682896D+00  0.102449D+01  0.231354D+00 -0.139109D+01 -0.202882D+01
                81            82            83            84            85 
      1  -0.139109D+01  0.280803D+01  0.475837D+00 -0.207030D-02  0.219199D+01
      2  -0.202882D+01  0.475837D+00 -0.947766D+00 -0.365300D+00  0.420668D+01
      3  -0.215315D+00 -0.207030D-02 -0.365300D+00 -0.642208D+00  0.435566D+00
                86            87            88            89            90 
      1   0.420668D+01  0.435566D+00  0.672812D+00  0.980921D+00  0.119372D+01
      2   0.924669D+01  0.856991D+00  0.980921D+00  0.249898D+01  0.665609D+01
      3   0.856991D+00  0.383782D+01  0.119372D+01  0.665609D+01  0.111020D+01
                91            92            93            94            95 
      1   0.794441D+01  0.441655D+01 -0.376068D+00  0.456168D+01  0.415899D+01
      2   0.441655D+01  0.320596D+01 -0.210634D+00  0.415899D+01  0.446523D+01
      3  -0.376068D+00 -0.210634D+00  0.773727D+00 -0.558266D+00 -0.451190D+00
                96            97            98            99           100 
      1  -0.558266D+00 -0.336216D+00 -0.431834D+00  0.215837D-01  0.123186D+02
      2  -0.451190D+00 -0.431834D+00 -0.685438D+00  0.497561D-01 -0.293091D+01
      3   0.690742D+00  0.215837D-01  0.497561D-01 -0.127093D+00  0.124479D+01
               101           102           103           104           105 
      1  -0.293091D+01  0.124479D+01 -0.301595D+01  0.234056D+01 -0.610477D+00
      2   0.151046D+01 -0.301748D+00  0.234056D+01 -0.140305D+01  0.312912D+00
      3  -0.301748D+00  0.107503D+01 -0.610477D+00  0.312912D+00 -0.409791D+00
               106           107           108           109           110 
      1   0.154273D+01 -0.604222D+00  0.143873D+00 -0.515226D+00  0.128190D+01
      2  -0.604222D+00  0.430894D+00 -0.911668D-01  0.128190D+01 -0.995692D+00
      3   0.143873D+00 -0.911668D-01  0.204874D+00 -0.210075D+00  0.293510D+00
               111           112           113           114           115 
      1  -0.210075D+00  0.123517D+01 -0.489300D+00  0.264838D-01 -0.233363D+00
      2   0.293510D+00 -0.489300D+00  0.962143D+01 -0.171448D+01  0.267388D+00
      3  -0.122684D+00  0.264838D-01 -0.171448D+01  0.126431D+01  0.539772D-01
               116           117           118           119           120 
      1   0.267388D+00  0.539772D-01  0.109478D+01 -0.166597D+01  0.355478D+00
      2  -0.194545D+01  0.475699D+00 -0.166597D+01  0.172714D+01 -0.330498D+00
      3   0.475699D+00 -0.290362D+00  0.355478D+00 -0.330498D+00  0.365151D+00
               121           122           123           124           125 
      1  -0.181640D+01  0.247259D+01 -0.468842D+00  0.255331D+00 -0.509006D+00
      2   0.247259D+01 -0.999517D+01  0.170037D+01 -0.509006D+00  0.191841D+01
      3  -0.468842D+00  0.170037D+01 -0.126121D+01  0.216427D+00 -0.501126D+00
               126           127           128           129           130 
      1   0.216427D+00 -0.233196D+00  0.884323D+00 -0.108316D+01  0.242973D+01
      2  -0.501126D+00  0.884323D+00 -0.561182D+00  0.853813D-01 -0.196065D+01
      3   0.267665D+00 -0.108316D+01  0.853813D-01 -0.694106D+00  0.475108D+00
               131           132           133           134           135 
      1  -0.196065D+01  0.475108D+00 -0.188646D+01  0.867642D+00 -0.159531D+01
      2   0.445414D+01 -0.241919D+01  0.867642D+00 -0.298917D+01  0.326761D+01
      3  -0.241919D+01  0.285574D+01 -0.159531D+01  0.326761D+01 -0.519644D+01
               136           137           138           139           140 
      1   0.590265D+01 -0.496489D+01  0.125385D+00 -0.253834D+01 -0.191425D+01
      2  -0.496489D+01 -0.902877D+00 -0.214398D+01 -0.191425D+01 -0.107083D+01
      3   0.125385D+00 -0.214398D+01 -0.125573D+01 -0.218897D+01 -0.129451D+01
               141           142           143           144           145 
      1  -0.218897D+01  0.418149D+01 -0.367603D+01 -0.194788D+01 -0.531072D+00
      2  -0.129451D+01 -0.367603D+01  0.390505D+00  0.347104D+01 -0.924677D-01
      3   0.322553D+01 -0.194788D+01  0.347104D+01 -0.119665D+01 -0.938272D+00
               146           147           148           149           150 
      1  -0.924677D-01 -0.938272D+00 -0.173672D+00 -0.192645D+00 -0.381713D+00
      2   0.591309D+00  0.325935D+00 -0.192645D+00 -0.149932D+01 -0.168701D+01
      3   0.325935D+00  0.131484D+01 -0.381713D+00 -0.168701D+01 -0.246714D+01
               151           152           153           154           155 
      1  -0.160507D+01 -0.279856D+00 -0.179026D+01 -0.119823D+02  0.143124D+01
      2  -0.279856D+00 -0.177061D+01 -0.193078D+01  0.143124D+01 -0.131629D+01
      3  -0.179026D+01 -0.193078D+01 -0.908389D+01 -0.115390D+01  0.993091D-01
               156           157           158           159           160 
      1  -0.115390D+01  0.252139D+01 -0.149374D+01  0.405767D+00  0.363426D+00
      2   0.993091D-01 -0.149374D+01  0.913012D+00 -0.580674D-02  0.718029D-01
      3  -0.119703D+01  0.405767D+00 -0.580674D-02  0.924275D-01 -0.128108D+01
               161           162           163           164           165 
      1   0.718029D-01 -0.128108D+01 -0.602680D+00 -0.100879D+01 -0.930726D+00
      2   0.240999D+00 -0.394394D-01 -0.100879D+01  0.293928D+00 -0.115007D+00
      3  -0.394394D-01 -0.599026D+00 -0.930726D+00 -0.115007D+00 -0.380944D+00
               166           167           168           169           170 
      1  -0.162996D+01 -0.169658D+01 -0.427664D+00 -0.269757D+01 -0.123796D+01
      2  -0.169658D+01 -0.763161D+01 -0.286509D+01 -0.123796D+01 -0.598571D+01
      3  -0.427664D+00 -0.286509D+01 -0.218206D+01 -0.861306D+00 -0.460726D+01
               171           172           173           174           175 
      1  -0.861306D+00  0.430469D-01 -0.447816D+00  0.819127D+00 -0.135171D+01
      2  -0.460726D+01 -0.447816D+00  0.724379D+00 -0.315628D+00 -0.141533D+01
      3  -0.430782D+01  0.819127D+00 -0.315628D+00  0.163525D+00  0.248472D+00
               176           177           178           179           180 
      1  -0.141533D+01  0.248472D+00  0.169756D+01  0.757703D+00 -0.637927D+00
      2  -0.637532D+01  0.268657D+01  0.757703D+00  0.441727D+01 -0.405381D+01
      3   0.268657D+01 -0.246319D+01 -0.637927D+00 -0.405381D+01  0.393164D+01
               181           182           183           184           185 
      1  -0.813927D+00  0.303604D-01  0.728283D+00 -0.103653D+01  0.204708D+00
      2   0.303604D-01  0.619299D-01  0.306697D+00  0.204708D+00 -0.170401D+01
      3   0.728283D+00  0.306697D+00 -0.579932D-01  0.911994D+00  0.920406D+00
               186           187           188           189           190 
      1   0.911994D+00  0.120423D+01  0.317868D+00 -0.101795D+01 -0.102475D+02
      2   0.920406D+00  0.317868D+00  0.158682D+01 -0.116243D+01  0.469401D+01
      3  -0.313158D+01 -0.101795D+01 -0.116243D+01  0.550158D+01  0.778271D+00
               191           192           193           194           195 
      1   0.469401D+01  0.778271D+00  0.370594D+01 -0.263573D+01 -0.721753D-01
      2  -0.329387D+01 -0.447019D+00 -0.263573D+01  0.288790D+01  0.412025D+00
      3  -0.447019D+00 -0.138183D+01 -0.721753D-01  0.412025D+00  0.350871D+00
               196           197           198           199           200 
      1  -0.162293D+01  0.921084D+00 -0.843195D+00  0.153313D+01  0.146327D+01
      2   0.921084D+00 -0.763839D+00  0.193892D+00  0.146327D+01  0.274247D+01
      3  -0.843195D+00  0.193892D+00 -0.140318D+00  0.386283D+00  0.141721D+01
               201           202           203           204           205 
      1   0.386283D+00  0.195035D+01  0.100028D+01  0.533872D+00  0.126900D+00
      2   0.141721D+01  0.100028D+01  0.554249D+01  0.196057D+01  0.647314D+00
      3   0.147880D+01  0.533872D+00  0.196057D+01  0.136180D+01  0.531583D+00
               206           207 
      1   0.647314D+00  0.531583D+00
      2   0.143081D+01  0.100596D+01
      3   0.100596D+01  0.140225D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.743278D+00 -0.971521D+00 -0.370938D+01 -0.174128D+01  0.103535D+01
      2  -0.137780D+01 -0.586147D+00  0.527732D+01  0.257372D+01  0.241020D+01
      3  -0.415486D+01 -0.125616D+02  0.143356D+01  0.722571D+01 -0.102935D+01
                 6             7             8             9            10 
      1  -0.158033D+00 -0.809431D+01  0.595544D+01 -0.188605D+01 -0.562566D+00
      2   0.609813D+01  0.195550D+01  0.110670D+02 -0.278097D+01  0.573847D+00
      3  -0.217545D+01 -0.194994D+01 -0.330104D+01 -0.434488D+01  0.361876D+01
                11            12            13            14            15 
      1  -0.217360D+00  0.200803D+01 -0.198468D+00  0.202413D+01  0.169658D+01
      2  -0.371496D-01  0.772174D+01  0.376896D+01 -0.116025D+01 -0.312988D+01
      3  -0.107972D+02  0.483602D+00  0.109472D+02  0.288379D+00  0.272663D+01
                16            17            18            19            20 
      1   0.520344D+01  0.106384D+02 -0.185106D+01  0.452691D+00  0.125649D+01
      2   0.846191D+01 -0.630716D+01  0.369347D+01  0.292775D+01 -0.344898D+01
      3  -0.267098D+01  0.205598D+01  0.197919D+01  0.501781D+01 -0.580241D+01
                21            22            23            24            25 
      1   0.283244D+01  0.478964D-01 -0.441561D+00 -0.304685D+01  0.247417D+01
      2  -0.181893D+01 -0.190569D+01 -0.294521D+00  0.331010D+01 -0.141409D+02
      3   0.249914D+01  0.411552D+01 -0.865980D+01 -0.401176D+00  0.313075D+01
                26            27            28            29            30 
      1   0.681025D+00  0.118548D+01 -0.582957D+00 -0.822123D+00  0.148489D+01
      2   0.502577D+01 -0.357184D+01 -0.132727D+01  0.256815D+01 -0.261487D+01
      3  -0.191242D+01 -0.738693D+01 -0.141750D+01  0.119556D+02 -0.111587D+01
                31            32            33            34            35 
      1  -0.875493D+00  0.210761D+01 -0.500994D+00  0.244612D+01  0.942339D+01
      2   0.239562D+01 -0.854462D+00  0.287537D+00 -0.151793D+02  0.152541D+01
      3   0.130576D+02 -0.117210D+02 -0.197964D+01  0.122489D+01  0.289708D+01
                36            37            38            39            40 
      1  -0.734038D+00  0.138929D+01 -0.488892D+00 -0.638969D+00 -0.147345D+01
      2  -0.100253D+01  0.108199D+01  0.695065D+00 -0.190267D+01 -0.281285D+01
      3  -0.216892D+01 -0.655787D+01  0.755386D+01 -0.286006D+01  0.121966D+02
                41            42            43            44            45 
      1  -0.114583D+00 -0.607695D+00 -0.330202D+01  0.776162D+01 -0.824031D+00
      2   0.339206D+01 -0.833379D+00 -0.143964D+02 -0.676349D+00 -0.846787D+00
      3   0.185822D+02  0.976748D+00  0.343104D+00 -0.241864D+01  0.357762D+01
                46            47            48            49            50 
      1   0.104557D+00  0.547178D+00 -0.160220D+01  0.135360D+01 -0.539249D+00
      2  -0.748939D+00 -0.176525D+01 -0.101478D+01 -0.238188D+01 -0.200496D+01
      3  -0.717496D+00 -0.123677D+02  0.173252D+01 -0.444897D+00  0.549440D+01
                51            52            53            54            55 
      1  -0.279622D+01  0.161582D+01  0.132860D+01  0.553326D+00  0.626229D+00
      2  -0.500748D+01 -0.104198D+02 -0.895823D+01  0.334751D+01 -0.524513D+00
      3   0.978965D+00  0.147761D+01  0.105280D+01  0.705193D+01  0.350941D+01
                56            57            58            59            60 
      1  -0.308701D+01 -0.289712D+01 -0.137130D+01 -0.416839D+01  0.110992D+01
      2  -0.121730D+01  0.107453D+01 -0.351991D+01  0.183340D+00  0.614670D+01
      3  -0.183637D+01  0.187900D+01  0.118338D+02  0.637986D+01  0.678547D+01
                61            62            63            64            65 
      1  -0.678972D+01  0.905943D+01 -0.516650D+00  0.292735D+01  0.172150D+01
      2  -0.107305D+02  0.936743D+01 -0.517505D+00  0.861906D+01 -0.215670D+01
      3   0.315673D-01  0.680855D+01 -0.507640D+01 -0.109229D+02 -0.741788D+01
                66            67            68            69            70 
      1   0.150379D+01 -0.920990D+00  0.296381D+01  0.202995D+01  0.232299D+01
      2   0.667303D+01 -0.232917D+01  0.161853D+01 -0.615216D+01 -0.243136D+01
      3  -0.316810D+01 -0.529186D+01  0.274623D+01 -0.474474D+01  0.504776D+00
                71            72            73            74            75 
      1   0.115051D+01 -0.205296D+01  0.444669D+00  0.110341D+01  0.720137D+00
      2  -0.106153D+02 -0.177952D+02  0.165197D+01 -0.955821D+00  0.664153D+01
      3  -0.274047D+01  0.751994D+01  0.129811D+02 -0.604996D+01  0.110709D+01
                76            77            78            79            80 
      1  -0.714130D+00  0.181250D+01 -0.807020D+01 -0.467149D+01  0.231843D+01
      2  -0.252625D+00 -0.394080D+01 -0.680163D+00 -0.350417D+01  0.534639D+01
      3   0.417036D+01 -0.557644D+01  0.482013D+01 -0.191177D+01  0.768861D+01
                81            82            83            84            85 
      1   0.389828D+01  0.620684D-01  0.480530D+00 -0.408151D+01  0.131894D+01
      2  -0.629740D+00 -0.281079D+01  0.457152D+00 -0.239894D+01  0.770513D+00
      3  -0.206990D+01 -0.481396D+01 -0.714436D+00 -0.105433D+01  0.715739D+01
                86            87            88            89            90 
      1   0.207088D+01  0.977484D+01  0.639687D+01  0.224062D+02  0.206873D+01
      2  -0.117798D+00 -0.110653D+00 -0.538772D+01 -0.454642D+01 -0.307138D+00
      3  -0.660323D+01 -0.738884D+00 -0.371610D+01 -0.274387D+01  0.353552D+01
                91            92            93            94            95 
      1  -0.195469D+00 -0.429540D+00 -0.247305D+01  0.306305D+00 -0.114766D+00
      2   0.419936D+00  0.277064D+00  0.438134D+01 -0.939525D+00 -0.733487D+00
      3  -0.267324D+01 -0.649103D+01  0.583636D-01 -0.501160D+01 -0.933462D+01
                96            97            98            99           100 
      1  -0.251767D+01  0.124666D+01  0.117917D+01  0.208370D+00  0.212484D+00
      2   0.352268D+01 -0.185329D+01 -0.985680D+00 -0.295652D+00  0.188116D+01
      3   0.646583D+00  0.890637D+00  0.128992D+01  0.183739D-01  0.264207D+01
               101           102           103           104           105 
      1   0.415290D+00  0.153015D+01 -0.945691D-01 -0.140597D+00 -0.897227D+00
      2  -0.445335D+00  0.646210D+01 -0.169367D+01  0.794804D+00 -0.225295D+01
      3  -0.623829D+01  0.282029D+00 -0.478629D+01  0.386292D+01 -0.663722D+00
               106           107           108           109           110 
      1  -0.800758D+00  0.607242D+00  0.187927D+00 -0.351028D+00  0.153156D+00
      2  -0.250237D+01  0.593645D+00  0.685588D+00 -0.726733D+00  0.599761D+00
      3   0.971576D+00 -0.120340D+01  0.161409D+00 -0.460657D+01  0.346201D+01
               111           112           113           114           115 
      1   0.760850D+00  0.434852D+00 -0.981302D+00 -0.491252D+01 -0.214283D+00
      2  -0.101734D+00  0.103935D+01 -0.246449D+01  0.117319D+01 -0.153281D+01
      3  -0.530805D+00  0.661501D+01 -0.152774D+02  0.270881D+01 -0.131489D+01
               116           117           118           119           120 
      1   0.219803D+01  0.595820D+00  0.108514D-01 -0.154007D+00  0.108939D+01
      2   0.452410D+00 -0.542440D-01  0.460988D+00 -0.296570D+00  0.886473D+00
      3   0.323962D+01 -0.290504D+00  0.182336D+01 -0.110492D+01  0.218330D+00
               121           122           123           124           125 
      1  -0.297843D+00 -0.311300D+00 -0.493995D+01 -0.762034D-01  0.190935D+01
      2  -0.593191D-01  0.319058D+01 -0.295052D+01 -0.130156D+01 -0.114471D+00
      3   0.170615D+01  0.168857D+02 -0.280862D+01 -0.243135D+00 -0.335169D+01
               126           127           128           129           130 
      1   0.700430D+00  0.911349D+00  0.443668D+00  0.987440D+00 -0.178244D+00
      2   0.381889D+00  0.156253D+01 -0.331871D-01  0.127953D+01  0.106706D+01
      3   0.107073D+00  0.235791D+01 -0.230087D+01 -0.123346D+01  0.211063D+01
               131           132           133           134           135 
      1  -0.218589D+00 -0.411973D+01  0.221054D+01  0.137132D+00  0.491751D+01
      2   0.245901D+01 -0.414391D+01 -0.959304D+00 -0.425548D+01  0.661538D+01
      3   0.527921D+01 -0.383994D+01 -0.227507D+01 -0.536979D+01  0.445241D+01
               136           137           138           139           140 
      1  -0.641956D+01  0.245381D+01  0.443349D+00  0.509587D+01 -0.259584D+00
      2  -0.696403D+01  0.110838D+02  0.563552D+01  0.101479D+02  0.313581D+01
      3   0.158439D+01 -0.166017D+02 -0.453662D+01 -0.976801D+01 -0.750216D+01
               141           142           143           144           145 
      1  -0.127568D+02  0.523985D+00 -0.776848D+01  0.582182D+01  0.277650D-01
      2  -0.420605D+01  0.239312D+01 -0.495665D+01  0.365943D+01  0.247428D+01
      3  -0.860469D+01 -0.225826D+01 -0.947063D+01  0.426528D+01  0.743579D+00
               146           147           148           149           150 
      1  -0.187392D+01  0.261508D+00 -0.284185D+00  0.271335D+01 -0.470605D-01
      2  -0.359626D+00 -0.316226D+01 -0.768285D+00  0.365680D+01  0.510036D+01
      3   0.197846D+01  0.515771D+00  0.286804D+01 -0.384869D+01 -0.342316D+01
               151           152           153           154           155 
      1   0.467041D-01  0.552440D+01  0.642670D+00 -0.113228D+01  0.153927D+01
      2  -0.141634D+01  0.439057D+01  0.202256D+02 -0.765718D+01  0.930179D+00
      3   0.611078D+00 -0.516507D+01 -0.288335D+01  0.460400D+01 -0.767266D+01
               156           157           158           159           160 
      1   0.260720D+00  0.121236D+01 -0.119271D+01 -0.935732D+00 -0.390347D+00
      2   0.541155D+01  0.129473D+01 -0.107367D+01 -0.542141D+00  0.237695D+01
      3   0.415792D+00 -0.267499D+01  0.367370D+01  0.548535D+00  0.713445D+00
               161           162           163           164           165 
      1   0.504092D+00  0.487184D+00 -0.269032D+01  0.860237D-01 -0.669589D+00
      2   0.385546D+00  0.384620D+00 -0.539527D+00 -0.330294D+00  0.167635D+01
      3   0.146177D+01 -0.158659D+00  0.203621D+01  0.123538D+01  0.288814D+01
               166           167           168           169           170 
      1  -0.160101D+01 -0.560614D+01 -0.768019D+01 -0.264924D+01 -0.927501D+01
      2  -0.177529D+00  0.901009D+00  0.108758D+01 -0.687422D+00  0.209160D+01
      3   0.373640D+01 -0.276105D+01 -0.138357D+01  0.804348D+01 -0.106130D+01
               171           172           173           174           175 
      1  -0.112460D+02  0.179153D+01 -0.211214D+00  0.562412D+00  0.105114D+01
      2   0.163301D+01 -0.345082D-01  0.286672D+00  0.503961D+00  0.606036D+00
      3  -0.226105D+01 -0.774397D+00 -0.152432D+01 -0.213936D+01  0.301774D+01
               176           177           178           179           180 
      1   0.474960D+01 -0.715383D+01 -0.194757D+01 -0.753133D+01  0.971238D+01
      2  -0.230126D+01  0.181237D+01 -0.154429D+01  0.257487D+01 -0.281795D+01
      3  -0.220722D+01  0.243341D+01 -0.485772D+01  0.302202D+01 -0.306867D+01
               181           182           183           184           185 
      1  -0.128115D+01 -0.283495D+00  0.751880D+00 -0.120862D+01 -0.698169D+01
      2  -0.567236D+00 -0.519373D+00  0.990910D-01  0.265753D+00 -0.208865D+01
      3  -0.114635D+01 -0.359784D+00  0.162495D+01 -0.227266D+00 -0.450384D+01
               186           187           188           189           190 
      1   0.624578D+01  0.205924D+01  0.698919D+01 -0.119476D+02  0.203136D+01
      2   0.573608D+01 -0.193460D+01  0.255252D+01 -0.973618D+01  0.712300D+01
      3   0.336038D+01  0.258943D+01  0.439448D+01 -0.465080D+01 -0.121365D+02
               191           192           193           194           195 
      1  -0.220581D+01  0.383205D+01 -0.178408D+01  0.159903D+01 -0.134214D+01
      2  -0.274730D+01  0.561171D+01 -0.312810D+01  0.897313D+00 -0.170508D+01
      3  -0.822848D+00  0.254026D+00  0.382623D+01  0.174402D+01  0.840397D+00
               196           197           198           199           200 
      1   0.179051D+01  0.429330D+00  0.425737D+00  0.147986D+01  0.544562D+00
      2   0.101159D+01 -0.326333D+00  0.113377D+01 -0.415959D+01 -0.386651D+01
      3  -0.910020D+00  0.337748D+00 -0.170225D+01  0.101748D+02  0.789694D+01
               201           202           203           204           205 
      1  -0.295722D+01  0.584314D+00  0.186192D+01 -0.278008D+01 -0.572924D+00
      2  -0.191570D+01 -0.396109D+01 -0.560511D+01 -0.256037D+01 -0.232045D+01
      3   0.311223D+01  0.966384D+01  0.129184D+02  0.527549D+01  0.157554D+01
               206           207 
      1   0.955479D+00 -0.221318D+01
      2  -0.246137D+01 -0.274248D+01
      3   0.448973D+01  0.339357D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.387862D+00 -0.180784D+02  0.282458D+01  0.295956D+02 -0.854932D+00
      2  -0.353053D+01  0.121793D+02  0.158260D+01 -0.286143D+02 -0.302492D+01
      3   0.391840D+01  0.589917D+01 -0.440718D+01 -0.981283D+00  0.387985D+01
      4  -0.179854D+02  0.147688D+02 -0.399834D+01 -0.230218D+01 -0.174152D+02
      5  -0.207056D+01 -0.239063D+01  0.113759D+02  0.722334D+01  0.665761D+01
      6  -0.240305D+01 -0.153542D+01  0.849398D+01  0.681450D+01  0.269196D+01
                 6             7             8             9            10 
      1   0.159863D+01 -0.820499D+01 -0.138839D+01  0.103414D+02 -0.570087D+01
      2  -0.302919D+01  0.965509D+01  0.406008D+01 -0.141019D+02  0.245189D+01
      3   0.143056D+01 -0.145010D+01 -0.267168D+01  0.376049D+01  0.324898D+01
      4   0.967446D+01  0.320279D+01  0.925155D+01  0.147164D+02  0.989924D+01
      5   0.132345D+02  0.297932D+02  0.161605D+02 -0.665887D+01 -0.632887D+01
      6   0.131287D+01  0.901332D+01  0.108362D+02  0.220665D+01 -0.308471D+00
                11            12            13            14            15 
      1   0.690311D+01 -0.634395D+01 -0.202548D+02 -0.195764D+02  0.615077D+01
      2  -0.349432D+01  0.201196D+01  0.187425D+02  0.191527D+02 -0.749734D+01
      3  -0.340879D+01  0.433200D+01  0.151222D+01  0.423687D+00  0.134657D+01
      4   0.228494D+02  0.437875D+00 -0.190644D+02  0.146118D+02 -0.773751D+01
      5   0.142599D+01  0.166836D+02  0.107463D+02 -0.415243D+01 -0.726836D+01
      6  -0.150786D+00 -0.455028D+01 -0.546098D+01 -0.225456D+01 -0.352328D+01
                16            17            18            19            20 
      1  -0.347762D+01  0.729597D+01  0.166031D+02  0.103468D+02 -0.154601D+01
      2  -0.196597D+01 -0.478480D+01 -0.198885D+02 -0.677777D+01 -0.147317D+01
      3   0.544360D+01 -0.251118D+01  0.328547D+01 -0.356902D+01  0.301917D+01
      4   0.119143D+02 -0.480877D+01 -0.567265D+01  0.598605D+01 -0.244015D+02
      5   0.369748D+02 -0.840851D+01  0.734103D+01  0.337962D+01  0.181062D+01
      6  -0.389656D+01  0.603110D+01  0.259723D+01  0.209827D+01 -0.129192D+01
                21            22            23            24            25 
      1   0.135328D+01  0.731985D+01  0.104950D+02 -0.519977D+01  0.102101D+01
      2  -0.226863D+01 -0.776154D+00 -0.166256D+02  0.735543D+01 -0.161131D+01
      3   0.915348D+00 -0.654369D+01  0.613066D+01 -0.215566D+01  0.590300D+00
      4   0.334859D+01  0.178925D+02  0.947714D+01  0.696286D+00 -0.159667D+01
      5  -0.547585D+01 -0.151199D+01  0.266875D+00  0.492793D+01  0.303606D+01
      6  -0.515518D+01 -0.179322D+01  0.106047D+02  0.520649D+01  0.102171D+01
                26            27            28            29            30 
      1  -0.441674D+01 -0.135782D+02 -0.334160D+02  0.132237D+02 -0.201039D+01
      2   0.978086D+01  0.138629D+00  0.196543D+02 -0.638602D+01 -0.295198D+00
      3  -0.536412D+01  0.134396D+02  0.137617D+02 -0.683768D+01  0.230559D+01
      4  -0.243517D+01  0.115500D+02 -0.115905D+02  0.917587D+01 -0.494973D+00
      5   0.108717D+02 -0.765273D+01 -0.265162D+01  0.989730D+00 -0.335365D+01
      6   0.137964D+02 -0.477717D+01  0.240649D+01  0.242724D+00 -0.177815D+01
                31            32            33            34            35 
      1   0.163909D+02 -0.160620D+01  0.105619D+01 -0.731407D+01  0.243042D+01
      2  -0.749657D+01  0.494210D+01 -0.305997D+01 -0.674029D+00 -0.102680D+01
      3  -0.889430D+01 -0.333590D+01  0.200377D+01  0.798810D+01 -0.140362D+01
      4  -0.227928D+01  0.558020D+01 -0.962651D+00  0.424921D+01 -0.242848D+01
      5   0.228331D+01 -0.521306D+00 -0.216641D+00  0.159323D+01  0.142040D+00
      6  -0.601873D+01 -0.258234D+01  0.253049D+01 -0.115447D+01  0.778550D+01
                36            37            38            39            40 
      1  -0.114865D+02 -0.172058D+02 -0.270689D+02  0.262737D+01 -0.203001D+02
      2   0.259581D+00  0.151434D+02  0.195355D+02  0.719758D+00  0.926679D+01
      3   0.112269D+02  0.206235D+01  0.753344D+01 -0.334713D+01  0.110333D+02
      4  -0.267163D+01 -0.407929D+01  0.122785D+01 -0.933209D+00  0.848373D-01
      5  -0.108203D+01  0.244183D+01  0.125679D+01 -0.172319D+01  0.500323D+00
      6   0.505076D+00 -0.250497D+01 -0.262206D+00  0.525967D+00  0.774018D+01
                41            42            43            44            45 
      1  -0.126997D+02 -0.652966D-01  0.173217D+01 -0.221255D+01 -0.149309D+02
      2   0.134806D+02 -0.743388D+00  0.223358D+01  0.223426D+01  0.428587D+01
      3  -0.780885D+00  0.808685D+00 -0.396574D+01 -0.217145D-01  0.106450D+02
      4  -0.593051D+01  0.262730D+01  0.894096D+00  0.201732D+01 -0.178292D+01
      5   0.297638D+01 -0.675536D+00  0.194004D+01 -0.272851D+01 -0.189217D+00
      6  -0.220030D+00  0.116234D+01 -0.778462D+00  0.111331D+02  0.177176D+01
                46            47            48            49            50 
      1   0.117467D+02  0.170371D+02  0.683477D-01 -0.202205D+02  0.143928D+02
      2  -0.117395D+02 -0.116158D+02  0.746770D+00  0.169067D+02 -0.212604D+02
      3  -0.722726D-02 -0.542130D+01 -0.815118D+00  0.331374D+01  0.686760D+01
      4   0.599075D+01 -0.187630D+02  0.412058D+01  0.125099D+02 -0.182083D+01
      5  -0.286986D+01  0.190657D+01 -0.438716D+01 -0.605992D+00 -0.432897D+01
      6   0.428767D+01 -0.116945D+01  0.238025D+01 -0.255147D+01  0.103144D+02
                51            52            53            54            55 
      1  -0.426260D+01  0.363913D+01 -0.212713D+01 -0.677775D+01  0.228678D+02
      2   0.692535D+01 -0.458392D+01  0.897370D+01 -0.398969D+01 -0.114440D+02
      3  -0.266275D+01  0.944788D+00 -0.684657D+01  0.107674D+02 -0.114238D+02
      4  -0.410241D+01  0.115053D+01 -0.768770D+01 -0.147119D+02 -0.298000D+01
      5  -0.935002D+01  0.827861D+01 -0.152592D+02  0.640507D+01  0.178627D+01
      6   0.557183D+01 -0.488696D+01  0.130152D+02 -0.285751D+01 -0.316518D+01
                56            57            58            59            60 
      1  -0.140222D+02 -0.370129D+01 -0.189043D+02  0.486272D+01 -0.868240D+01
      2   0.106037D+02  0.432309D+01  0.119717D+02  0.123139D+01  0.683971D+01
      3   0.341846D+01 -0.621803D+00  0.693255D+01 -0.609411D+01  0.184269D+01
      4  -0.642574D+01 -0.368933D+01 -0.132441D+02  0.806797D+01 -0.577918D+01
      5  -0.556755D+01 -0.587611D+01 -0.755185D+01 -0.706535D+01  0.129945D+02
      6   0.375206D+01  0.408445D+01  0.312784D+00  0.816354D+01 -0.159798D+02
                61            62            63            64            65 
      1  -0.638488D+00 -0.754651D+01  0.109729D+02 -0.479610D+02  0.140871D+02
      2   0.460335D+01  0.545011D+00 -0.981499D+01  0.245931D+02 -0.941229D+01
      3  -0.396486D+01  0.700150D+01 -0.115794D+01  0.233680D+02 -0.467484D+01
      4  -0.111768D+02  0.178190D+01  0.192791D+02  0.156843D+02  0.329822D+01
      5  -0.147106D+02  0.183511D+02 -0.336273D+01 -0.747686D+01  0.596546D+01
      6   0.155926D+02 -0.221290D+02  0.109219D+02  0.256336D+01  0.156569D+01
                66            67            68            69            70 
      1  -0.547297D+01  0.193992D+02  0.723883D+01  0.893300D+01  0.134747D+01
      2  -0.184487D+01 -0.118844D+02 -0.108110D+02 -0.442070D+00  0.217459D+01
      3   0.731784D+01 -0.751480D+01  0.357218D+01 -0.849093D+01 -0.352205D+01
      4   0.402127D+01 -0.290705D+01 -0.132939D+00  0.629300D+01  0.632595D+01
      5   0.724791D+01  0.103027D+02  0.741479D+01 -0.415876D+01 -0.298905D+01
      6   0.774373D+00  0.245131D+01 -0.103445D+01 -0.470557D+01 -0.301077D+01
                71            72            73            74            75 
      1   0.372428D+01  0.149282D+02  0.305048D+02  0.108209D+02  0.117620D+01
      2   0.897710D+01  0.163416D+02 -0.164286D+02 -0.789499D+01 -0.178148D+01
      3  -0.127014D+02 -0.312698D+02 -0.140761D+02 -0.292590D+01  0.605283D+00
      4   0.430950D-01 -0.134724D+02  0.134823D+02  0.120751D+02 -0.512385D+01
      5  -0.130199D+02 -0.278769D+02 -0.566211D+01 -0.316153D+01  0.104767D+02
      6  -0.166949D+01 -0.122351D+02 -0.894966D+00 -0.823342D+01 -0.505359D+01
                76            77            78            79            80 
      1  -0.773219D+01 -0.756801D+01 -0.872871D-01 -0.685421D+01 -0.168756D+01
      2   0.908486D+01  0.161625D+02  0.275070D+01  0.419590D+01 -0.291870D+01
      3  -0.135267D+01 -0.859448D+01 -0.266342D+01  0.265831D+01  0.460626D+01
      4   0.135756D+02  0.973100D+01 -0.618693D+01 -0.661832D+01 -0.650220D+01
      5  -0.524582D+01 -0.525026D+01 -0.345954D+01  0.112699D+02  0.728474D+01
      6  -0.636553D+00 -0.201851D+01  0.112302D+02  0.403207D+01  0.111504D+02
                81            82            83            84            85 
      1  -0.816679D+01 -0.108864D+02 -0.550851D+01 -0.908864D+00  0.219268D+02
      2  -0.514245D+01  0.802146D+01  0.768067D+01  0.256259D+01 -0.189569D+02
      3   0.133092D+02  0.286493D+01 -0.217216D+01 -0.165373D+01 -0.296994D+01
      4   0.900247D+01  0.323897D+00 -0.330004D+01  0.228135D+01 -0.117102D+01
      5  -0.164872D+01 -0.140648D+01  0.108312D+01 -0.759264D+01 -0.245288D+01
      6  -0.146781D+01 -0.637400D+00  0.181333D+01  0.974341D+01 -0.349342D+01
                86            87            88            89            90 
      1   0.424662D+02  0.258951D+01  0.529389D+01  0.804074D+01  0.321785D+02
      2  -0.394383D+02 -0.271038D+01 -0.540360D+01 -0.105708D+02 -0.300352D+02
      3  -0.302787D+01  0.120867D+00  0.109706D+00  0.253003D+01 -0.214325D+01
      4  -0.612604D+01 -0.265297D+01 -0.308113D+01 -0.407371D+01 -0.819489D+01
      5  -0.369409D+01 -0.366038D+01 -0.276781D+01 -0.100547D+02 -0.186013D+01
      6  -0.539256D+01 -0.274557D+02 -0.774544D+01 -0.446349D+02 -0.533812D+01
                91            92            93            94            95 
      1   0.489016D+02  0.233294D+02 -0.223025D+01  0.206792D+02  0.139330D+02
      2  -0.194733D+02 -0.597434D+01  0.116633D+01 -0.192703D+01  0.385208D+01
      3  -0.294283D+02 -0.173550D+02  0.106392D+01 -0.187521D+02 -0.177850D+02
      4   0.451169D+02  0.322417D+02 -0.211251D+01  0.380795D+02  0.370682D+02
      5  -0.525105D+01 -0.258171D+01  0.809171D+01 -0.527900D+01 -0.442680D+01
      6  -0.774212D+00 -0.649163D+00  0.331898D+01 -0.225054D+01 -0.194639D+01
                96            97            98            99           100 
      1  -0.183465D+01 -0.818922D+00 -0.621320D+00  0.499510D+00  0.940493D+02
      2   0.956249D+00 -0.714669D+00 -0.939984D+00  0.362294D+00 -0.519651D+02
      3   0.878401D+00  0.153359D+01  0.156130D+01 -0.861803D+00 -0.420841D+02
      4  -0.362299D+01 -0.402684D+01 -0.391590D+01  0.226796D+01 -0.316042D+02
      5   0.569117D+01  0.194054D+01  0.109581D+01 -0.744387D+00  0.118702D+02
      6   0.453714D+01  0.930253D+00  0.170850D+01 -0.975869D+00 -0.414637D+00
               101           102           103           104           105 
      1  -0.207221D+02  0.819112D+01 -0.196878D+02  0.132654D+02 -0.306619D+01
      2   0.101238D+02 -0.554308D+01  0.849581D+01 -0.515212D+01  0.211542D+01
      3   0.105983D+02 -0.264804D+01  0.111920D+02 -0.811331D+01  0.950779D+00
      4   0.165120D+02 -0.287235D+01  0.226972D+02 -0.126249D+02  0.271786D+01
      5  -0.264280D+01  0.115349D+02 -0.522320D+01  0.278121D+01 -0.358347D+01
      6   0.683350D+00 -0.183061D+01  0.150079D+01 -0.689085D+00  0.240700D+01
               106           107           108           109           110 
      1   0.997409D+01 -0.310194D+01  0.270491D+01 -0.392006D+01  0.646654D+01
      2  -0.532001D+01  0.139250D+01 -0.162676D+01  0.528919D+01 -0.592812D+01
      3  -0.465408D+01  0.170944D+01 -0.107814D+01 -0.136912D+01 -0.538422D+00
      4  -0.611061D+01  0.308434D+01 -0.197688D+01  0.753873D+00  0.678888D+01
      5   0.320343D+01 -0.844900D+00  0.222952D+01 -0.337083D+00 -0.629808D+00
      6  -0.602409D+00  0.111414D+01 -0.800363D+00 -0.144881D+01  0.212427D+01
               111           112           113           114           115 
      1  -0.184636D+01  0.380220D+01 -0.371001D+02  0.718412D+01 -0.126709D+01
      2   0.120774D+01 -0.284288D+01  0.513804D+02 -0.709448D+01  0.134909D+01
      3   0.638619D+00 -0.959319D+00 -0.142803D+02 -0.896430D-01 -0.819988D-01
      4  -0.773279D+00  0.610646D+01  0.188042D+02 -0.386303D+01 -0.102018D+01
      5   0.130160D+01 -0.905100D+00 -0.454118D+01  0.252313D+01  0.753819D+00
      6  -0.110467D+01  0.135953D+00 -0.133828D+02  0.969775D+01 -0.153240D+00
               116           117           118           119           120 
      1   0.747726D+01 -0.328419D+01  0.163235D+01 -0.298445D+01  0.566474D+00
      2  -0.916932D+01  0.349168D+01  0.316336D+01 -0.273071D+01  0.643424D-01
      3   0.169206D+01 -0.207493D+00 -0.479572D+01  0.571516D+01 -0.630817D+00
      4  -0.302655D+01 -0.103359D+00 -0.107459D+02  0.154109D+02 -0.275166D+01
      5   0.554217D+00 -0.167554D+00  0.181570D+01 -0.248500D+01  0.295790D+01
      6   0.535024D+01 -0.317924D+01 -0.178137D+01  0.178950D+01 -0.188659D+01
               121           122           123           124           125 
      1   0.843142D+00 -0.246487D+02  0.428704D+01  0.329534D+00  0.437910D+01
      2  -0.798919D+01  0.443645D+02 -0.512893D+01  0.706846D+00 -0.721753D+01
      3   0.714605D+01 -0.197158D+02  0.841893D+00 -0.103638D+01  0.283843D+01
      4   0.178133D+02 -0.425733D+02  0.724964D+01 -0.353660D+01  0.854519D+01
      5  -0.283507D+01  0.645728D+01 -0.532862D+01  0.149140D+01 -0.192133D+01
      6   0.284298D+01 -0.109197D+02  0.924798D+01 -0.137595D+01  0.534120D+01
               126           127           128           129           130 
      1  -0.276655D+01  0.826625D+00 -0.141620D+01  0.270825D+01  0.390610D+01
      2   0.338850D+01 -0.633606D+00  0.330493D+00 -0.201948D+01 -0.399167D+01
      3  -0.621959D+00 -0.193020D+00  0.108571D+01 -0.688768D+00  0.855681D-01
      4  -0.221773D+01 -0.410351D+01  0.706654D+01 -0.360755D+01  0.104506D+02
      5   0.142057D+01  0.464991D+01 -0.279816D+01  0.743129D+01 -0.324602D+01
      6  -0.299615D+01 -0.530872D+01  0.101031D+01 -0.188805D+01  0.389551D+01
               131           132           133           134           135 
      1  -0.140845D+02  0.892933D+01 -0.254297D+00  0.109436D+02 -0.154052D+02
      2   0.144631D+02 -0.720520D+01 -0.103168D+01 -0.532094D+01 -0.182626D+00
      3  -0.378559D+00 -0.172413D+01  0.128597D+01 -0.562269D+01  0.155878D+02
      4  -0.145663D+02  0.682348D+01 -0.568599D+01  0.920648D+01 -0.989538D+01
      5   0.721386D+01 -0.911414D+01  0.100860D+02 -0.102559D+02  0.156165D+02
      6  -0.159399D+02  0.173197D+02 -0.731632D+01  0.183107D+02 -0.228473D+02
               136           137           138           139           140 
      1  -0.208260D+02  0.301682D+02  0.723938D+01  0.290195D+02  0.654949D+01
      2  -0.766357D+01 -0.173006D+02 -0.911114D+01 -0.149316D+02 -0.892696D+01
      3   0.284896D+02 -0.128676D+02  0.187176D+01 -0.140880D+02  0.237747D+01
      4   0.388151D+02 -0.165844D+02  0.494910D+01 -0.859835D+01 -0.258935D+01
      5   0.443630D+01 -0.906063D-01  0.499592D+01  0.256206D+01  0.756543D+00
      6  -0.290749D+01 -0.105203D+02 -0.626213D+01 -0.942564D+01 -0.630379D+01
               141           142           143           144           145 
      1   0.284551D+01  0.541485D+01  0.304261D+01 -0.260042D+01  0.315408D+01
      2  -0.179678D+02 -0.848307D+01 -0.123873D+02  0.136629D+02 -0.392199D+01
      3   0.151223D+02  0.306822D+01  0.934468D+01 -0.110625D+02  0.767915D+00
      4  -0.851054D-01  0.164359D+02 -0.692415D+01 -0.175467D+02  0.284080D+00
      5  -0.153889D+02  0.998555D+01 -0.176617D+02  0.233354D+01  0.381153D+01
      6   0.643113D+01 -0.133720D+02  0.108107D+02  0.475929D+01  0.123880D+01
               146           147           148           149           150 
      1   0.903227D+00  0.784669D+01  0.675630D+00 -0.654909D+01 -0.641221D+01
      2   0.269740D+00  0.332168D+00 -0.153049D+01  0.167305D+01 -0.213901D+01
      3  -0.117297D+01 -0.817886D+01  0.854862D+00  0.487604D+01  0.855122D+01
      4  -0.108361D+01  0.610507D+00  0.352618D+01  0.615589D+01  0.691718D+01
      5   0.298807D-01  0.447574D+00  0.356614D+01  0.609377D+01  0.980403D+01
      6  -0.939588D+00 -0.167559D+01  0.153296D+01  0.702513D+01  0.122096D+02
               151           152           153           154           155 
      1   0.473128D+01 -0.426235D+01 -0.175216D+02  0.775555D+02 -0.887145D+01
      2  -0.803123D+01 -0.265307D+01 -0.233233D+02 -0.438166D+02  0.481116D+01
      3   0.329995D+01  0.691542D+01  0.408448D+02 -0.337389D+02  0.406029D+01
      4   0.261993D+01  0.797614D+01  0.853196D+01 -0.878137D+01  0.110183D+02
      5   0.139337D+02  0.775687D+01  0.364122D+02  0.175802D+02 -0.214923D+01
      6   0.247360D+01  0.787632D+01  0.128555D+02 -0.134363D+01  0.141409D+01
               156           157           158           159           160 
      1   0.615161D+01 -0.148357D+02  0.764359D+01 -0.247447D+01 -0.198479D+01
      2  -0.569707D+01  0.837712D+01 -0.275435D+01  0.115569D+01 -0.436469D+00
      3  -0.454535D+00  0.645853D+01 -0.488924D+01  0.131878D+01  0.242126D+01
      4  -0.618063D+00  0.130445D+02 -0.601956D+01  0.580529D+00 -0.588973D+00
      5   0.113333D+02 -0.491879D+01  0.130838D+01 -0.203609D+01  0.109437D+02
      6  -0.505394D+00  0.230169D+01 -0.127629D+01  0.236710D+01 -0.872897D+00
               161           162           163           164           165 
      1  -0.371955D+00  0.551869D+01 -0.568077D+00  0.275659D+01  0.734906D+00
      2  -0.742246D+00 -0.561866D+01  0.159441D+01 -0.261149D+01 -0.147995D+01
      3   0.111420D+01  0.999733D-01 -0.102633D+01 -0.145099D+00  0.745044D+00
      4  -0.876017D+00 -0.410070D+00  0.285823D+01  0.807299D+01  0.468381D+01
      5  -0.778785D+00  0.329007D+01  0.185394D+01  0.319638D+01  0.582772D+01
      6   0.137557D+01  0.285099D+00  0.647087D+01  0.763616D+00  0.143164D+01
               166           167           168           169           170 
      1  -0.427805D+01 -0.325451D+02 -0.116389D+02 -0.208562D+01 -0.262883D+02
      2   0.594341D+01  0.411046D+02  0.138157D+02  0.279533D+01  0.276894D+02
      3  -0.166535D+01 -0.855950D+01 -0.217679D+01 -0.709713D+00 -0.140107D+01
      4   0.705362D+01  0.106156D+02  0.397536D+01  0.849376D+01  0.812190D+01
      5   0.266384D+01  0.420468D+01  0.325771D+01  0.559542D+01  0.744209D+01
      6   0.327104D+01  0.219194D+02  0.177738D+02  0.651999D+01  0.326125D+02
               171           172           173           174           175 
      1  -0.224750D+02  0.274882D+00  0.389308D+01 -0.319332D+01 -0.445023D+01
      2   0.165874D+02  0.194369D+00 -0.403860D+01  0.202942D+01  0.524883D+01
      3   0.588760D+01 -0.469251D+00  0.145518D+00  0.116391D+01 -0.798601D+00
      4   0.620062D+01  0.745820D+00  0.670641D+01 -0.432254D+01  0.570918D+01
      5   0.615701D+01 -0.105883D+01 -0.256813D+01  0.376751D+01 -0.161628D+01
      6   0.263119D+02 -0.518898D+01  0.237729D+01 -0.138636D+01 -0.207201D+01
               176           177           178           179           180 
      1  -0.274279D+02  0.121048D+02  0.109411D+01  0.201268D+02 -0.208571D+02
      2   0.333166D+02 -0.134278D+02 -0.129920D+01 -0.199059D+02  0.141742D+02
      3  -0.588870D+01  0.132300D+01  0.205087D+00 -0.220856D+00  0.668286D+01
      4   0.778398D+01 -0.295080D+01 -0.616175D+01 -0.530153D+01  0.470538D+01
      5  -0.376196D+01  0.358863D+01  0.410956D+01  0.626993D+01 -0.520123D+01
      6  -0.194485D+02  0.178625D+02  0.507294D+01  0.272179D+02 -0.230418D+02
               181           182           183           184           185 
      1   0.380433D+01 -0.187233D+01 -0.405044D+01  0.121800D+01 -0.561972D+00
      2  -0.321505D+01  0.516724D+00  0.374421D+01 -0.258703D+01 -0.521274D+01
      3  -0.589277D+00  0.135561D+01  0.306230D+00  0.136903D+01  0.577471D+01
      4  -0.273516D+01  0.237958D+01  0.255183D+00 -0.557568D+00  0.783790D+01
      5  -0.458122D+01 -0.141676D+01  0.459167D+01 -0.607379D+01 -0.314792D+01
      6   0.689636D+00  0.113582D+01  0.530387D+00  0.158395D+01 -0.270609D+01
               186           187           188           189           190 
      1   0.232576D+01 -0.427012D+01 -0.978295D+00 -0.798403D+01  0.442873D+02
      2   0.118724D+02  0.622169D+01  0.988450D+01 -0.195032D+02 -0.979110D+01
      3  -0.141982D+02 -0.195157D+01 -0.890620D+01  0.274872D+02 -0.344962D+02
      4  -0.318224D+01  0.145481D+01 -0.580826D+01  0.510156D+01 -0.508603D+02
      5   0.122093D+02  0.896170D+01  0.468612D+01 -0.205217D+02 -0.141237D+02
      6  -0.227331D+01 -0.147751D+01  0.310185D+01  0.767687D+01  0.554859D+01
               191           192           193           194           195 
      1  -0.135249D+02 -0.104280D-01 -0.106181D+02  0.250575D+01 -0.961056D+00
      2  -0.448493D+01  0.208283D+01 -0.391231D+01  0.957589D+01  0.121554D+01
      3   0.180098D+02 -0.207240D+01  0.145304D+02 -0.120816D+02 -0.254482D+00
      4   0.321237D+02  0.315888D+01  0.259068D+02 -0.215978D+02 -0.148446D+01
      5   0.656573D+01  0.103426D+02  0.462741D+01 -0.344147D+01 -0.285627D+01
      6  -0.439972D+01 -0.686004D+01 -0.220343D+01  0.396121D+01  0.388247D+01
               196           197           198           199           200 
      1   0.449500D+01 -0.108941D+01  0.351702D+01 -0.629868D+01 -0.170934D+02
      2   0.117875D+01 -0.128298D+01 -0.256934D+01  0.890470D+01  0.188543D+02
      3  -0.567375D+01  0.237239D+01 -0.947673D+00 -0.260601D+01 -0.176091D+01
      4  -0.697439D+01  0.470261D+01 -0.375434D+01  0.318509D+01  0.200410D+01
      5   0.689527D+01 -0.193205D+01  0.284294D+00  0.286907D+01  0.516301D+00
      6  -0.433998D+01  0.275603D+01 -0.111934D+01  0.377818D+01  0.104799D+02
               201           202           203           204           205 
      1  -0.815154D+01 -0.119345D+02 -0.269049D+02 -0.108296D+02 -0.368651D+01
      2   0.568290D+01  0.102828D+02  0.360566D+02  0.104629D+02  0.265673D+01
      3   0.246864D+01  0.165177D+01 -0.915172D+01  0.366692D+00  0.102978D+01
      4  -0.304809D+00  0.775964D+01 -0.667713D+01 -0.226849D+01 -0.163036D+00
      5  -0.118624D+01  0.299036D+01 -0.179966D+01 -0.113418D+01  0.176746D+01
      6   0.865321D+01  0.419864D+01  0.176994D+02  0.120002D+02  0.398650D+01
               206           207 
      1  -0.887813D+01 -0.863867D+01
      2   0.787322D+01  0.389533D+01
      3   0.100491D+01  0.474334D+01
      4  -0.942078D+00  0.105544D+01
      5  -0.896401D-01 -0.184729D+01
      6   0.102719D+02  0.800920D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Jul 19 19:06:49 2021, MaxMem=  5637144576 cpu:           51142.9 elap:            6460.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.90798 -10.06602 -10.06016 -10.03104 -10.03055
 Alpha  occ. eigenvalues --  -10.02848 -10.02319 -10.02270 -10.02215 -10.02178
 Alpha  occ. eigenvalues --  -10.00553  -1.10429  -0.93937  -0.88103  -0.84658
 Alpha  occ. eigenvalues --   -0.81503  -0.77549  -0.73118  -0.70464  -0.68198
 Alpha  occ. eigenvalues --   -0.62628  -0.60256  -0.57392  -0.56600  -0.54550
 Alpha  occ. eigenvalues --   -0.53412  -0.51572  -0.50186  -0.49405  -0.48025
 Alpha  occ. eigenvalues --   -0.46235  -0.45812  -0.44154  -0.43111  -0.42870
 Alpha  occ. eigenvalues --   -0.40116  -0.38692  -0.33812  -0.32903  -0.32458
 Alpha virt. eigenvalues --    0.02885   0.03423   0.03758   0.03982   0.04580
 Alpha virt. eigenvalues --    0.04912   0.05149   0.05513   0.06269   0.06537
 Alpha virt. eigenvalues --    0.07371   0.07490   0.07933   0.09228   0.10214
 Alpha virt. eigenvalues --    0.11433   0.11760   0.12141   0.12603   0.12768
 Alpha virt. eigenvalues --    0.13323   0.13699   0.13958   0.14284   0.14621
 Alpha virt. eigenvalues --    0.15299   0.15557   0.15671   0.16149   0.16366
 Alpha virt. eigenvalues --    0.16847   0.17456   0.17618   0.18199   0.18905
 Alpha virt. eigenvalues --    0.19060   0.19537   0.19915   0.20562   0.20656
 Alpha virt. eigenvalues --    0.21164   0.21417   0.22536   0.22955   0.23209
 Alpha virt. eigenvalues --    0.23785   0.25128   0.25356   0.25899   0.26011
 Alpha virt. eigenvalues --    0.26574   0.27215   0.27595   0.28139   0.28479
 Alpha virt. eigenvalues --    0.28753   0.29635   0.30048   0.30725   0.31624
 Alpha virt. eigenvalues --    0.31720   0.32179   0.32357   0.33066   0.33530
 Alpha virt. eigenvalues --    0.34322   0.34816   0.35231   0.35389   0.36138
 Alpha virt. eigenvalues --    0.36556   0.37118   0.37277   0.38054   0.38497
 Alpha virt. eigenvalues --    0.39360   0.39893   0.40417   0.40710   0.42042
 Alpha virt. eigenvalues --    0.42525   0.43146   0.43467   0.43832   0.44929
 Alpha virt. eigenvalues --    0.45845   0.46186   0.46950   0.47644   0.47756
 Alpha virt. eigenvalues --    0.48166   0.49203   0.49753   0.50610   0.50972
 Alpha virt. eigenvalues --    0.51574   0.52406   0.53084   0.53808   0.54724
 Alpha virt. eigenvalues --    0.55324   0.55970   0.56075   0.57000   0.57631
 Alpha virt. eigenvalues --    0.57973   0.58552   0.59499   0.60332   0.60580
 Alpha virt. eigenvalues --    0.61103   0.61537   0.61870   0.62714   0.63153
 Alpha virt. eigenvalues --    0.64003   0.64212   0.64422   0.64858   0.65248
 Alpha virt. eigenvalues --    0.66094   0.66687   0.67192   0.68315   0.68527
 Alpha virt. eigenvalues --    0.69537   0.69715   0.70120   0.70806   0.71518
 Alpha virt. eigenvalues --    0.71634   0.72587   0.72760   0.73614   0.74112
 Alpha virt. eigenvalues --    0.75013   0.75681   0.75898   0.76938   0.77812
 Alpha virt. eigenvalues --    0.78582   0.79210   0.79550   0.80050   0.81757
 Alpha virt. eigenvalues --    0.82181   0.83301   0.83494   0.84166   0.84949
 Alpha virt. eigenvalues --    0.85232   0.85592   0.85875   0.86805   0.87136
 Alpha virt. eigenvalues --    0.87765   0.89006   0.89904   0.90879   0.92043
 Alpha virt. eigenvalues --    0.92430   0.93405   0.94702   0.95575   0.97325
 Alpha virt. eigenvalues --    0.98876   0.99380   1.00087   1.00828   1.02159
 Alpha virt. eigenvalues --    1.02700   1.04345   1.05497   1.05742   1.09056
 Alpha virt. eigenvalues --    1.09210   1.10420   1.12611   1.13444   1.14894
 Alpha virt. eigenvalues --    1.17080   1.18927   1.19396   1.21514   1.22565
 Alpha virt. eigenvalues --    1.24977   1.25523   1.27885   1.30569   1.31959
 Alpha virt. eigenvalues --    1.36095   1.37634   1.38083   1.38998   1.40451
 Alpha virt. eigenvalues --    1.41178   1.42909   1.44043   1.45870   1.46086
 Alpha virt. eigenvalues --    1.47050   1.47713   1.48258   1.49545   1.50552
 Alpha virt. eigenvalues --    1.51411   1.52901   1.54838   1.56524   1.56825
 Alpha virt. eigenvalues --    1.57399   1.58862   1.59954   1.60862   1.61317
 Alpha virt. eigenvalues --    1.62278   1.64019   1.65436   1.66231   1.66893
 Alpha virt. eigenvalues --    1.69002   1.69660   1.70559   1.72609   1.74697
 Alpha virt. eigenvalues --    1.74975   1.75563   1.76304   1.76400   1.77722
 Alpha virt. eigenvalues --    1.79472   1.80177   1.81245   1.81715   1.83620
 Alpha virt. eigenvalues --    1.84173   1.85733   1.86431   1.87853   1.88647
 Alpha virt. eigenvalues --    1.89401   1.90059   1.92076   1.93493   1.94376
 Alpha virt. eigenvalues --    1.95664   1.97339   1.97642   1.98606   2.00935
 Alpha virt. eigenvalues --    2.02620   2.03883   2.05066   2.05389   2.05861
 Alpha virt. eigenvalues --    2.07563   2.09698   2.11251   2.12125   2.12545
 Alpha virt. eigenvalues --    2.14190   2.15402   2.15903   2.16777   2.18701
 Alpha virt. eigenvalues --    2.20120   2.20408   2.23158   2.24748   2.25194
 Alpha virt. eigenvalues --    2.27528   2.29370   2.31280   2.32679   2.34426
 Alpha virt. eigenvalues --    2.35966   2.38278   2.39463   2.40421   2.42368
 Alpha virt. eigenvalues --    2.43950   2.44639   2.49390   2.51317   2.53090
 Alpha virt. eigenvalues --    2.55410   2.56722   2.57964   2.59852   2.60707
 Alpha virt. eigenvalues --    2.62823   2.64202   2.65725   2.68421   2.69903
 Alpha virt. eigenvalues --    2.72289   2.74516   2.81135   2.83439   2.85768
 Alpha virt. eigenvalues --    2.88630   2.89545   2.92892   2.94837   2.99349
 Alpha virt. eigenvalues --    3.07618   3.13481   3.15843   3.17574   3.19594
 Alpha virt. eigenvalues --    3.26730   3.51325   3.54541   3.56863   3.61483
 Alpha virt. eigenvalues --    3.68273   3.76382   3.79297   3.88384   3.96584
 Alpha virt. eigenvalues --    4.65255
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   15.945546  -5.986191  -7.685286   3.561721  -5.330746   6.153598
     2  C   -5.986191  14.417970   6.317872  -5.869997   3.614242  -6.487657
     3  C   -7.685286   6.317872  33.241740 -14.660067   2.719214  -8.995894
     4  C    3.561721  -5.869997 -14.660067  34.237811 -14.997115   2.542032
     5  C   -5.330746   3.614242   2.719214 -14.997115  31.890639 -11.652763
     6  C    6.153598  -6.487657  -8.995894   2.542032 -11.652763  28.224173
     7  C   -0.409752   0.267581  -3.270916  -0.934461  -1.735766   0.193780
     8  C   -0.194358   0.059353  -0.135819  -0.123627   0.290175  -0.202613
     9  O    0.004690  -0.018347  -0.017170  -0.257188   0.318727  -0.163702
    10  C    0.188037  -0.106061   0.370664  -0.474328  -0.076619  -2.397345
    11  H   -1.904010   0.883512   1.055994  -0.261964   0.059503  -0.364742
    12  H    0.879930  -1.605270  -0.262480  -0.021749  -0.242265   0.780076
    13  H    1.083043  -0.481170  -3.119998   1.814348  -0.929986   0.451434
    14  H   -0.434525   0.805256   0.304971  -0.408380   1.409173  -2.462758
    15  H   -0.039625   0.037500   0.240323   0.153552   0.142091  -0.080514
    16  C    0.087597  -0.044579  -0.305348  -0.150139   0.006350   0.015850
    17  H   -0.013426   0.000054   0.051783  -0.224433  -0.234590   0.038492
    18  H   -0.002109   0.001359  -0.025461   0.545761  -0.094266  -0.022287
    19  H    0.019914  -0.041661   0.011983   0.068007   0.161719  -0.131231
    20  H    0.006731   0.023806  -0.065211   0.068632  -0.081892   0.221242
    21  H   -0.039412   0.020828   0.189559  -0.301228   0.138615  -0.001437
    22  H    0.017917  -0.011136  -0.101553   0.520437  -0.158486   0.008983
    23  H    0.006844   0.027348   0.045692  -0.356290   0.071231  -0.053101
               7          8          9         10         11         12
     1  C   -0.409752  -0.194358   0.004690   0.188037  -1.904010   0.879930
     2  C    0.267581   0.059353  -0.018347  -0.106061   0.883512  -1.605270
     3  C   -3.270916  -0.135819  -0.017170   0.370664   1.055994  -0.262480
     4  C   -0.934461  -0.123627  -0.257188  -0.474328  -0.261964  -0.021749
     5  C   -1.735766   0.290175   0.318727  -0.076619   0.059503  -0.242265
     6  C    0.193780  -0.202613  -0.163702  -2.397345  -0.364742   0.780076
     7  C   14.389998  -1.036205   0.098062  -0.826025   0.058022  -0.033010
     8  C   -1.036205   6.111030   0.296013  -0.248203   0.006437   0.004321
     9  O    0.098062   0.296013   8.876492  -0.422590  -0.000296   0.000509
    10  C   -0.826025  -0.248203  -0.422590   9.279514  -0.020189   0.045523
    11  H    0.058022   0.006437  -0.000296  -0.020189   2.567398  -0.151280
    12  H   -0.033010   0.004321   0.000509   0.045523  -0.151280   2.525818
    13  H    0.120096   0.012717   0.001452  -0.040591  -0.200514  -0.030729
    14  H    0.012522   0.016330   0.004842  -0.021493  -0.028921  -0.195247
    15  H   -1.328706   0.130079   0.012982  -0.032860  -0.002908   0.000421
    16  C    0.531090  -0.052595   0.079603  -0.249729  -0.001928   0.000127
    17  H    0.600081  -0.050817  -0.005916  -0.020469   0.000186  -0.000067
    18  H   -0.425927  -0.032857  -0.215846   0.093772   0.000732   0.000064
    19  H   -0.027205   0.000632  -0.015355   0.275621  -0.000292   0.001477
    20  H    0.079831  -0.051533  -0.139409  -0.214684   0.000124   0.000112
    21  H   -0.053828  -0.086676   0.018677  -0.114744  -0.000943   0.000453
    22  H   -0.335020   0.128702   0.005151   0.069296   0.000778  -0.000252
    23  H    0.351829  -0.104765   0.002658   0.008645  -0.000508   0.000414
              13         14         15         16         17         18
     1  C    1.083043  -0.434525  -0.039625   0.087597  -0.013426  -0.002109
     2  C   -0.481170   0.805256   0.037500  -0.044579   0.000054   0.001359
     3  C   -3.119998   0.304971   0.240323  -0.305348   0.051783  -0.025461
     4  C    1.814348  -0.408380   0.153552  -0.150139  -0.224433   0.545761
     5  C   -0.929986   1.409173   0.142091   0.006350  -0.234590  -0.094266
     6  C    0.451434  -2.462758  -0.080514   0.015850   0.038492  -0.022287
     7  C    0.120096   0.012522  -1.328706   0.531090   0.600081  -0.425927
     8  C    0.012717   0.016330   0.130079  -0.052595  -0.050817  -0.032857
     9  O    0.001452   0.004842   0.012982   0.079603  -0.005916  -0.215846
    10  C   -0.040591  -0.021493  -0.032860  -0.249729  -0.020469   0.093772
    11  H   -0.200514  -0.028921  -0.002908  -0.001928   0.000186   0.000732
    12  H   -0.030729  -0.195247   0.000421   0.000127  -0.000067   0.000064
    13  H    3.364968   0.021757  -0.057050   0.091139   0.005528  -0.002459
    14  H    0.021757   2.947564  -0.003163   0.004743   0.002781  -0.000388
    15  H   -0.057050  -0.003163   2.297410   0.041193  -0.124464  -0.017352
    16  C    0.091139   0.004743   0.041193   4.535182   0.010938  -0.084436
    17  H    0.005528   0.002781  -0.124464   0.010938   1.893032  -0.621858
    18  H   -0.002459  -0.000388  -0.017352  -0.084436  -0.621858   2.382265
    19  H   -0.003592  -0.004274   0.008088  -0.012571  -0.028644   0.010329
    20  H   -0.005136  -0.037634  -0.001880   0.021481   0.007465   0.005174
    21  H    0.007488   0.000987   0.102848   0.312531   0.007199  -0.064104
    22  H    0.004840   0.000514  -0.044060  -0.014885   0.033323  -0.022726
    23  H   -0.049303  -0.001643  -0.008018   0.213604  -0.018891   0.023583
              19         20         21         22         23
     1  C    0.019914   0.006731  -0.039412   0.017917   0.006844
     2  C   -0.041661   0.023806   0.020828  -0.011136   0.027348
     3  C    0.011983  -0.065211   0.189559  -0.101553   0.045692
     4  C    0.068007   0.068632  -0.301228   0.520437  -0.356290
     5  C    0.161719  -0.081892   0.138615  -0.158486   0.071231
     6  C   -0.131231   0.221242  -0.001437   0.008983  -0.053101
     7  C   -0.027205   0.079831  -0.053828  -0.335020   0.351829
     8  C    0.000632  -0.051533  -0.086676   0.128702  -0.104765
     9  O   -0.015355  -0.139409   0.018677   0.005151   0.002658
    10  C    0.275621  -0.214684  -0.114744   0.069296   0.008645
    11  H   -0.000292   0.000124  -0.000943   0.000778  -0.000508
    12  H    0.001477   0.000112   0.000453  -0.000252   0.000414
    13  H   -0.003592  -0.005136   0.007488   0.004840  -0.049303
    14  H   -0.004274  -0.037634   0.000987   0.000514  -0.001643
    15  H    0.008088  -0.001880   0.102848  -0.044060  -0.008018
    16  C   -0.012571   0.021481   0.312531  -0.014885   0.213604
    17  H   -0.028644   0.007465   0.007199   0.033323  -0.018891
    18  H    0.010329   0.005174  -0.064104  -0.022726   0.023583
    19  H    1.103440  -0.372090   0.000483   0.000725   0.000715
    20  H   -0.372090   1.763911  -0.010780   0.002913   0.003779
    21  H    0.000483  -0.010780   1.681722  -0.320447  -0.400149
    22  H    0.000725   0.002913  -0.320447   1.868539  -0.394278
    23  H    0.000715   0.003779  -0.400149  -0.394278   1.882343
 Mulliken charges:
               1
     1  C    0.083873
     2  C    0.175391
     3  C    0.095405
     4  C    1.528667
     5  C    0.712812
     6  C    0.386384
     7  C   -0.286070
     8  C    1.264280
     9  O   -0.464037
    10  C    0.934857
    11  H   -0.694192
    12  H   -0.696897
    13  H   -1.058281
    14  H   -0.933013
    15  H   -0.425888
    16  C    0.964783
    17  H   -0.307288
    18  H   -0.430961
    19  H   -0.026220
    20  H   -0.224952
    21  H   -0.087641
    22  H   -0.259276
    23  H   -0.251738
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.610319
     2  C   -0.521506
     3  C   -0.962875
     4  C    1.528667
     5  C    0.712812
     6  C   -0.546629
     7  C   -0.711957
     8  C    0.526032
     9  O   -0.464037
    10  C    0.683685
    16  C    0.366128
 Electronic spatial extent (au):  <R**2>=           1639.8136
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.5330    Y=              0.4818    Z=             -0.7896  Tot=              1.0676
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -65.1379   YY=            -62.0004   ZZ=            -68.8179
   XY=             -3.1882   XZ=              2.8313   YZ=             -0.9977
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.1808   YY=              3.3183   ZZ=             -3.4992
   XY=             -3.1882   XZ=              2.8313   YZ=             -0.9977
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              6.9049  YYY=             -7.2469  ZZZ=              0.4874  XYY=              5.3352
  XXY=              8.6527  XXZ=             -3.6346  XZZ=            -10.5454  YZZ=             -3.6117
  YYZ=              0.0870  XYZ=             -3.3335
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1289.0275 YYYY=           -690.7748 ZZZZ=           -187.7621 XXXY=            -15.2926
 XXXZ=             18.8861 YYYX=              8.2482 YYYZ=            -13.1329 ZZZX=              0.9548
 ZZZY=             -2.6990 XXYY=           -346.8266 XXZZ=           -276.9327 YYZZ=           -150.9066
 XXYZ=             -3.4524 YYXZ=              2.9491 ZZXY=              3.8107
 N-N= 6.087582623565D+02 E-N=-2.293477714901D+03  KE= 4.599828047389D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Jul 19 19:06:50 2021, MaxMem=  5637144576 cpu:               5.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.26347213D-01 1.89666481D-01-3.08094183D-01
 Polarizability= 1.39945018D+02-2.82458637D+00 1.23418169D+02
                 2.87767968D+00-3.88014091D+00 8.04670895D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.3384   -1.3382       -1.1718   -1.1700
 2      1.3384    1.3382        1.8677    1.8677       -9.4618   -9.4618
 3      1.1718    1.1700       31.6375   31.6364       -1.8660   -1.8677
 4     -1.8677   -1.8677       -0.0000    0.0000        1.1698    1.1700
 5    -22.1757  -22.1746       -1.1698   -1.1700       -1.3379   -1.3382
 6      1.8659    1.8677        1.3379    1.3382       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.0145    4.0145       -3.5099   -3.5099
 2     -5.6030   -5.6030        0.0000    0.0000       -3.5099   -3.5099
 3     -5.6030   -5.6030        4.0145    4.0145       -0.0000    0.0000
 4      4.0145    4.0145        5.6030    5.6030      -28.3855  -28.3855
 5      3.5099    3.5099       94.9093   94.9093       -5.6030   -5.6030
 6    -66.5238  -66.5238       -3.5099   -3.5099       -4.0145   -4.0145
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0012    0.0000        5.3624    5.3526        4.7124    4.6799
 2     -5.3135   -5.3526       -7.4269   -7.4707       37.8991   37.8473
 3     -4.6489   -4.6799     -126.5207 -126.5458        7.4539    7.4707
 4      7.4618    7.4707        0.0015    0.0000       -4.6845   -4.6799
 5     88.6905   88.6985        4.6870    4.6799        5.3674    5.3526
 6     -7.4628   -7.4707       -5.3490   -5.3526       -0.0533    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0222    0.0000       -6.6306   -6.6331       -1.8540   -1.8923
 2      6.5771    6.6331      -54.6436  -54.6533       28.6731   28.6945
 3      1.9256    1.8923       14.5946   14.5971       54.6226   54.6533
 4     54.6523   54.6533       -0.0122    0.0000        1.8804    1.8923
 5    -43.2575  -43.2917       -1.9349   -1.8923       -6.6830   -6.6331
 6    -54.5982  -54.6533        6.6364    6.6331       -0.0465    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.1876   -4.1593      -36.0034  -35.9838       -5.7345   -5.6089
 2     84.1773   84.2180      -35.7244  -35.7430       -5.6895   -5.6089
 3     84.1955   84.2180      -35.9910  -35.9838       -6.7317   -6.6391
 4     -0.2408   -0.2408      -88.3797  -88.3773       26.8582   26.8573
 5     -1.1046   -1.0302       35.4210   35.4646       88.3001   88.3773
 6    -62.3146  -62.3219        0.9765    1.0302        0.2654    0.2408
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5276   -2.6609   -0.0007   -0.0004    0.0002    5.4422
 Low frequencies ---   92.0069  119.2389  201.5494
 Diagonal vibrational polarizability:
        4.1634484       3.8790134       8.3476660
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     92.0053               119.2385               201.5491
 Red. masses --      3.0238                 3.0444                 2.8692
 Frc consts  --      0.0151                 0.0255                 0.0687
 IR Inten    --      0.5753                 0.2323                 1.2462
 RamAct Fr= 1--      3.0782                 3.1002                 1.9605
  Dep-P Fr= 1--      0.7487                 0.7413                 0.6437
  Dep-U Fr= 1--      0.8563                 0.8514                 0.7832
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0038
 Beta2  Fr= 1--      0.4393                 0.4399                 0.2559
 AlphaG Fr= 1--     -0.0001                -0.0007                 0.0086
 Gamma2 Fr= 1--      0.3304                 1.0510                 0.5353
 Delta2 Fr= 1--      0.5295                 0.5528                -0.0015
 Raman1 Fr= 1--      12.313                 12.401                  7.842
 ROA1   Fr= 1--      48.663                118.587                 51.336
 CID1   Fr= 1--       3.952                  9.563                  6.546
 Raman2 Fr= 1--       5.272                  5.279                  3.071
 ROA2   Fr= 1--       3.693                 20.801                 12.859
 CID2   Fr= 1--       0.701                  3.940                  4.187
 Raman3 Fr= 1--      10.544                 10.559                  6.142
 ROA3   Fr= 1--      48.663                118.587                 51.336
 CID3   Fr= 1--       4.615                 11.231                  8.358
 RC180  Fr= 1--       0.713                  0.703                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.13    -0.02   0.02  -0.02    -0.02   0.04   0.16
     2   6    -0.00   0.01   0.03    -0.03   0.05   0.18    -0.02   0.02   0.03
     3   6    -0.03   0.00   0.10    -0.01  -0.02  -0.17    -0.01   0.02   0.01
     4   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.13     0.00  -0.01  -0.14
     5   6     0.01  -0.04  -0.10    -0.01   0.00  -0.03    -0.01  -0.01  -0.13
     6   6     0.02  -0.02  -0.09    -0.02   0.04   0.15    -0.01  -0.01  -0.14
     7   6    -0.01  -0.03  -0.04    -0.01  -0.01  -0.01     0.00  -0.02  -0.09
     8   6    -0.08  -0.04   0.14    -0.08   0.03   0.06     0.01  -0.02  -0.05
     9   8     0.06  -0.03   0.12    -0.00  -0.02  -0.01    -0.02   0.09   0.08
    10   6     0.02  -0.05  -0.13    -0.01  -0.01  -0.14    -0.04   0.03   0.14
    11   1    -0.04   0.05   0.24    -0.02   0.02  -0.04    -0.03   0.07   0.35
    12   1     0.00   0.02   0.04    -0.04   0.09   0.35    -0.03   0.03   0.10
    13   1    -0.04   0.01   0.18    -0.01  -0.04  -0.27    -0.01   0.03   0.08
    14   1     0.03  -0.03  -0.15    -0.02   0.07   0.28    -0.01  -0.02  -0.19
    15   1    -0.02  -0.15  -0.14    -0.10   0.03   0.03    -0.06   0.03  -0.05
    16   6     0.05   0.18  -0.14     0.17  -0.06   0.10     0.11  -0.13   0.02
    17   1    -0.24  -0.06   0.11    -0.21   0.06   0.02     0.05  -0.12  -0.00
    18   1    -0.06  -0.02   0.29    -0.06   0.05   0.19     0.01  -0.01  -0.12
    19   1    -0.11   0.10  -0.24    -0.03   0.13  -0.24    -0.11  -0.21   0.31
    20   1     0.11  -0.19  -0.25     0.02  -0.14  -0.24     0.00   0.26   0.31
    21   1     0.04   0.31  -0.04     0.31  -0.10   0.07     0.37  -0.17  -0.01
    22   1     0.06   0.20  -0.18     0.15  -0.06   0.28     0.02  -0.27   0.22
    23   1     0.09   0.19  -0.28     0.21  -0.07   0.03     0.04  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    232.2499               253.9007               322.9162
 Red. masses --      1.1063                 2.8506                 3.1614
 Frc consts  --      0.0352                 0.1083                 0.1942
 IR Inten    --      0.4417                 2.7111                 5.0029
 RamAct Fr= 1--      0.1254                 0.4794                 0.8604
  Dep-P Fr= 1--      0.7186                 0.7458                 0.1651
  Dep-U Fr= 1--      0.8363                 0.8544                 0.2834
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0128
 Beta2  Fr= 1--      0.0175                 0.0683                 0.0406
 AlphaG Fr= 1--     -0.0011                 0.0001                -0.0033
 Gamma2 Fr= 1--     -0.1244                 0.4606                -0.3631
 Delta2 Fr= 1--      0.0600                 0.1554                -0.1634
 Raman1 Fr= 1--       0.502                  1.918                  3.442
 ROA1   Fr= 1--     -10.024                 49.191                -40.080
 CID1   Fr= 1--     -19.983                 25.652                -11.646
 Raman2 Fr= 1--       0.210                  0.819                  0.488
 ROA2   Fr= 1--      -3.466                  9.812                 -7.406
 CID2   Fr= 1--     -16.525                 11.978                -15.188
 Raman3 Fr= 1--       0.419                  1.638                  0.975
 ROA3   Fr= 1--     -10.024                 49.191                -40.080
 CID3   Fr= 1--     -23.896                 30.025                -41.094
 RC180  Fr= 1--       0.673                  0.709                 -0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.01    -0.06   0.06   0.01    -0.06   0.06  -0.06
     2   6    -0.00  -0.01  -0.02    -0.02   0.06  -0.04    -0.01   0.05  -0.13
     3   6     0.00   0.00   0.02    -0.07   0.00   0.04    -0.09   0.01   0.15
     4   6    -0.00   0.01   0.03    -0.02  -0.05   0.03    -0.01  -0.07   0.07
     5   6    -0.01   0.01   0.03    -0.01  -0.04   0.05    -0.00  -0.06   0.12
     6   6    -0.01   0.00   0.01     0.02   0.01  -0.01     0.03   0.01   0.11
     7   6    -0.01   0.00   0.02     0.01  -0.02   0.03     0.05  -0.05  -0.09
     8   6     0.01  -0.00  -0.01    -0.02   0.01  -0.03     0.03  -0.00  -0.08
     9   8    -0.01  -0.03  -0.04    -0.07  -0.12  -0.17    -0.01   0.14   0.08
    10   6     0.00  -0.01  -0.00    -0.00  -0.06   0.10    -0.08  -0.00  -0.07
    11   1     0.01  -0.02  -0.03    -0.08   0.09   0.01    -0.09   0.08  -0.16
    12   1    -0.00  -0.02  -0.04    -0.00   0.08  -0.10     0.02   0.08  -0.30
    13   1     0.01   0.01   0.02    -0.14  -0.01   0.06    -0.18   0.01   0.22
    14   1    -0.02  -0.00   0.01     0.08   0.02  -0.04     0.11   0.04   0.15
    15   1    -0.02  -0.01   0.01     0.05  -0.05   0.00     0.14  -0.03  -0.07
    16   6     0.02   0.04   0.00     0.21   0.13   0.01     0.13  -0.10  -0.05
    17   1     0.04   0.03  -0.01    -0.03   0.14  -0.08     0.10  -0.15  -0.01
    18   1     0.01  -0.01  -0.03    -0.01   0.01   0.01     0.03   0.03  -0.20
    19   1     0.04  -0.00  -0.01     0.15  -0.25   0.25    -0.19   0.25  -0.25
    20   1    -0.01  -0.01  -0.00    -0.08   0.13   0.26    -0.14  -0.25  -0.25
    21   1     0.55   0.21   0.16     0.05   0.17   0.04     0.23  -0.15  -0.08
    22   1    -0.21  -0.42   0.19     0.32   0.41   0.04     0.11  -0.10   0.08
    23   1    -0.27   0.39  -0.36     0.45  -0.06  -0.04     0.16  -0.12  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    357.2463               385.6409               440.8882
 Red. masses --      3.5440                 2.3758                 3.3059
 Frc consts  --      0.2665                 0.2082                 0.3786
 IR Inten    --      0.2966                 0.4124                 3.9621
 RamAct Fr= 1--      0.3105                 2.6239                 1.2347
  Dep-P Fr= 1--      0.7169                 0.3593                 0.6478
  Dep-U Fr= 1--      0.8351                 0.5287                 0.7863
 Alpha2 Fr= 1--      0.0002                 0.0223                 0.0023
 Beta2  Fr= 1--      0.0432                 0.2312                 0.1618
 AlphaG Fr= 1--     -0.0002                -0.0107                 0.0061
 Gamma2 Fr= 1--     -0.7614                 0.0352                 0.4405
 Delta2 Fr= 1--     -0.2309                 0.1543                 0.0924
 Raman1 Fr= 1--       1.242                 10.495                  4.939
 ROA1   Fr= 1--     -80.481                  8.316                 45.247
 CID1   Fr= 1--     -64.797                  0.792                  9.161
 Raman2 Fr= 1--       0.519                  2.774                  1.942
 ROA2   Fr= 1--     -16.426                 -0.390                  9.833
 CID2   Fr= 1--     -31.673                 -0.141                  5.064
 Raman3 Fr= 1--       1.037                  5.549                  3.883
 ROA3   Fr= 1--     -80.481                  8.316                 45.247
 CID3   Fr= 1--     -77.592                  1.499                 11.652
 RC180  Fr= 1--       0.670                  0.057                  0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05   0.02    -0.04  -0.04  -0.02    -0.08  -0.08  -0.09
     2   6     0.00  -0.09  -0.11    -0.10  -0.04   0.01    -0.01  -0.05  -0.02
     3   6     0.10   0.10   0.13    -0.02   0.04  -0.00    -0.09  -0.02   0.15
     4   6     0.03   0.14  -0.06    -0.04   0.07  -0.01    -0.07  -0.04  -0.09
     5   6    -0.03   0.16   0.05    -0.07   0.06  -0.04     0.03  -0.04  -0.17
     6   6    -0.09   0.06   0.09    -0.12   0.00   0.00    -0.01  -0.02   0.15
     7   6    -0.04  -0.03  -0.11    -0.04   0.03   0.03    -0.06   0.07  -0.03
     8   6    -0.11  -0.08   0.05     0.17  -0.12  -0.05    -0.02   0.07  -0.01
     9   8    -0.05  -0.12  -0.02     0.07  -0.03   0.07     0.18   0.08  -0.05
    10   6     0.04   0.09   0.01     0.04  -0.02  -0.04     0.12  -0.03   0.03
    11   1     0.15  -0.12   0.02    -0.00  -0.09  -0.02    -0.09  -0.07  -0.15
    12   1    -0.02  -0.20  -0.26    -0.11  -0.07   0.04     0.00   0.00   0.01
    13   1     0.22   0.15   0.26     0.03   0.06   0.01    -0.08   0.03   0.41
    14   1    -0.21   0.05   0.15    -0.19  -0.00   0.02    -0.06   0.03   0.43
    15   1    -0.18  -0.08  -0.14    -0.11   0.01   0.02    -0.04   0.11   0.00
    16   6     0.07  -0.09  -0.06     0.06   0.07   0.05    -0.03   0.02   0.02
    17   1    -0.33  -0.08   0.01     0.56  -0.18   0.05    -0.16   0.14  -0.06
    18   1    -0.08  -0.01   0.24     0.11  -0.27  -0.43    -0.04  -0.03   0.19
    19   1     0.16   0.11  -0.00     0.00   0.06  -0.09     0.08  -0.32   0.23
    20   1     0.12   0.08  -0.01     0.15  -0.08  -0.10     0.12   0.24   0.23
    21   1     0.06  -0.19  -0.13     0.01   0.09   0.06     0.02  -0.02  -0.01
    22   1     0.09   0.01   0.05     0.12   0.23   0.11    -0.05  -0.00   0.07
    23   1     0.16  -0.19   0.01     0.21  -0.03   0.01    -0.05   0.03   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    471.3334               524.9805               554.0479
 Red. masses --      4.0221                 3.5738                 3.5664
 Frc consts  --      0.5265                 0.5803                 0.6450
 IR Inten    --      3.1414                 0.2801                 3.3016
 RamAct Fr= 1--      2.2028                 8.0118                 0.2854
  Dep-P Fr= 1--      0.3323                 0.1979                 0.4459
  Dep-U Fr= 1--      0.4988                 0.3304                 0.6168
 Alpha2 Fr= 1--      0.0205                 0.1094                 0.0018
 Beta2  Fr= 1--      0.1831                 0.4412                 0.0293
 AlphaG Fr= 1--      0.0147                 0.0179                -0.0080
 Gamma2 Fr= 1--     -0.1500                -0.2490                 0.2100
 Delta2 Fr= 1--      0.1043                -0.0738                -0.0061
 Raman1 Fr= 1--       8.811                 32.047                  1.142
 ROA1   Fr= 1--     -11.065                -26.266                 19.967
 CID1   Fr= 1--      -1.256                 -0.820                 17.488
 Raman2 Fr= 1--       2.198                  5.295                  0.352
 ROA2   Fr= 1--      -4.435                 -5.385                  5.090
 CID2   Fr= 1--      -2.018                 -1.017                 14.455
 Raman3 Fr= 1--       4.395                 10.589                  0.704
 ROA3   Fr= 1--     -11.065                -26.266                 19.967
 CID3   Fr= 1--      -2.517                 -2.480                 28.352
 RC180  Fr= 1--      -0.002                 -0.339                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07   0.14    -0.07   0.04  -0.04     0.01  -0.06  -0.19
     2   6    -0.02  -0.08  -0.03    -0.22   0.03   0.02     0.01   0.01   0.23
     3   6    -0.09  -0.06  -0.12    -0.02   0.10  -0.02    -0.01   0.02   0.10
     4   6    -0.09   0.01   0.05     0.07   0.02   0.07    -0.03   0.06   0.24
     5   6     0.03   0.07   0.25    -0.08  -0.01   0.00     0.03   0.04  -0.06
     6   6    -0.00  -0.08  -0.07    -0.14  -0.04  -0.03     0.02  -0.02  -0.14
     7   6    -0.07   0.04  -0.08     0.22   0.02  -0.02    -0.05  -0.06  -0.03
     8   6    -0.05   0.03  -0.03     0.12   0.09   0.12    -0.09  -0.05  -0.05
     9   8     0.19   0.07  -0.05     0.07  -0.05  -0.01     0.00   0.04   0.00
    10   6     0.15   0.07   0.02     0.02  -0.07   0.01     0.02   0.08  -0.01
    11   1    -0.14  -0.04   0.21     0.02  -0.07  -0.09     0.02  -0.12  -0.52
    12   1     0.01  -0.05  -0.20    -0.22   0.02   0.04     0.00   0.05   0.39
    13   1    -0.02  -0.09  -0.37    -0.10   0.07  -0.09     0.04   0.00  -0.07
    14   1    -0.06  -0.14  -0.37    -0.11  -0.04  -0.10    -0.01  -0.06  -0.32
    15   1    -0.00   0.07  -0.06     0.25  -0.03  -0.07     0.07  -0.08  -0.05
    16   6     0.03  -0.02  -0.01     0.03  -0.09  -0.10     0.06  -0.05  -0.05
    17   1    -0.20   0.07  -0.08    -0.18   0.14   0.05    -0.16  -0.09  -0.05
    18   1    -0.07  -0.07   0.17     0.19   0.26   0.40    -0.08  -0.03   0.00
    19   1     0.30   0.21  -0.08     0.07  -0.14   0.06     0.00  -0.03   0.07
    20   1     0.02  -0.07  -0.07     0.05  -0.01   0.06     0.05   0.18   0.06
    21   1     0.12  -0.10  -0.06    -0.01  -0.20  -0.18     0.15  -0.05  -0.04
    22   1     0.02   0.02   0.16    -0.02  -0.28  -0.24     0.07   0.05   0.12
    23   1     0.09  -0.07  -0.01    -0.17   0.00   0.11     0.18  -0.12  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    621.8870               706.4100               735.3029
 Red. masses --      4.5836                 3.5550                 4.2478
 Frc consts  --      1.0444                 1.0452                 1.3531
 IR Inten    --      4.3133                 9.6296                 2.2974
 RamAct Fr= 1--      2.3368                 0.7339                22.2948
  Dep-P Fr= 1--      0.3177                 0.5671                 0.0430
  Dep-U Fr= 1--      0.4822                 0.7238                 0.0825
 Alpha2 Fr= 1--      0.0227                 0.0025                 0.4478
 Beta2  Fr= 1--      0.1878                 0.0885                 0.3064
 AlphaG Fr= 1--      0.0381                -0.0063                -0.0066
 Gamma2 Fr= 1--      0.1545                -0.3316                -1.6085
 Delta2 Fr= 1--      0.1691                -0.2403                -0.6707
 Raman1 Fr= 1--       9.347                  2.936                 89.179
 ROA1   Fr= 1--      20.243                -39.521               -175.876
 CID1   Fr= 1--       2.166                -13.463                 -1.972
 Raman2 Fr= 1--       2.254                  1.062                  3.677
 ROA2   Fr= 1--       2.356                 -6.035                -33.237
 CID2   Fr= 1--       1.045                 -5.681                 -9.040
 Raman3 Fr= 1--       4.508                  2.125                  7.353
 ROA3   Fr= 1--      20.243                -39.521               -175.876
 CID3   Fr= 1--       4.491                -18.601                -23.918
 RC180  Fr= 1--      -0.036                  0.448                 -0.835
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.18  -0.04   0.00    -0.12  -0.10  -0.08     0.03   0.05  -0.05
     2   6    -0.08  -0.07  -0.03     0.12  -0.02   0.08    -0.10   0.02   0.05
     3   6    -0.08   0.17  -0.05    -0.10  -0.04   0.06     0.07   0.26   0.01
     4   6     0.10   0.00  -0.06    -0.06   0.02  -0.10     0.11   0.05  -0.08
     5   6     0.17   0.04  -0.06     0.05   0.05   0.05     0.07  -0.11   0.11
     6   6     0.08  -0.22   0.06     0.11  -0.03  -0.07     0.08  -0.24   0.01
     7   6     0.06  -0.19   0.14     0.03   0.18  -0.09    -0.09   0.12  -0.11
     8   6    -0.01  -0.03  -0.00     0.10   0.07   0.11    -0.08  -0.03  -0.06
     9   8    -0.08   0.01  -0.02    -0.14  -0.13   0.03     0.02  -0.00   0.01
    10   6     0.05   0.25  -0.01     0.02   0.03   0.03    -0.05  -0.17   0.03
    11   1    -0.10  -0.12   0.15    -0.22   0.02   0.00     0.22  -0.17  -0.09
    12   1    -0.01   0.18   0.04     0.17   0.15   0.19    -0.04   0.14  -0.08
    13   1    -0.08   0.19   0.10    -0.04   0.01   0.26     0.07   0.26   0.03
    14   1     0.02  -0.19   0.22     0.03  -0.04  -0.03     0.25  -0.24  -0.15
    15   1     0.04  -0.15   0.17    -0.04   0.05  -0.20    -0.14   0.12  -0.11
    16   6     0.00  -0.01   0.01     0.01   0.01  -0.04    -0.05   0.08   0.07
    17   1     0.05  -0.02   0.00     0.30   0.05   0.16    -0.10  -0.07  -0.04
    18   1     0.01   0.09  -0.11     0.10   0.07  -0.11    -0.11  -0.16  -0.01
    19   1     0.06   0.28  -0.03     0.05   0.22  -0.09    -0.07  -0.12  -0.01
    20   1     0.10   0.23  -0.05     0.06  -0.12  -0.10    -0.19  -0.23   0.00
    21   1    -0.15   0.25   0.21     0.08  -0.30  -0.29     0.07  -0.09  -0.06
    22   1     0.05  -0.00  -0.27    -0.06  -0.13   0.08    -0.08   0.12   0.32
    23   1    -0.02   0.06  -0.16    -0.12   0.02   0.29    -0.00   0.01   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    744.1165               771.3808               843.9545
 Red. masses --      2.0765                 1.6692                 3.2553
 Frc consts  --      0.6774                 0.5852                 1.3661
 IR Inten    --     26.6792                28.0750                 1.6239
 RamAct Fr= 1--      1.2435                 1.9855                 3.2304
  Dep-P Fr= 1--      0.2978                 0.4124                 0.4283
  Dep-U Fr= 1--      0.4589                 0.5840                 0.5997
 Alpha2 Fr= 1--      0.0128                 0.0141                 0.0216
 Beta2  Fr= 1--      0.0951                 0.1933                 0.3229
 AlphaG Fr= 1--     -0.0197                 0.0099                -0.0419
 Gamma2 Fr= 1--      0.3190                -0.5145                 0.7096
 Delta2 Fr= 1--     -0.0772                 0.2584                 0.2678
 Raman1 Fr= 1--       4.974                  7.942                 12.921
 ROA1   Fr= 1--      28.153                -41.122                 76.689
 CID1   Fr= 1--       5.660                 -5.178                  5.935
 Raman2 Fr= 1--       1.141                  2.319                  3.874
 ROA2   Fr= 1--       8.274                -14.415                 14.888
 CID2   Fr= 1--       7.249                 -6.216                  3.843
 Raman3 Fr= 1--       2.283                  4.638                  7.749
 ROA3   Fr= 1--      28.153                -41.122                 76.689
 CID3   Fr= 1--      12.333                 -8.866                  9.897
 RC180  Fr= 1--      -0.082                  0.168                  0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.13    -0.00   0.00  -0.01     0.08   0.11   0.02
     2   6    -0.05   0.03   0.03     0.01  -0.02  -0.11    -0.16   0.06  -0.02
     3   6     0.02  -0.04   0.04     0.01   0.02  -0.09     0.03  -0.15   0.05
     4   6     0.02  -0.06  -0.12    -0.01   0.04   0.17     0.05  -0.13   0.02
     5   6    -0.04   0.01   0.14     0.01  -0.01  -0.04     0.02  -0.05  -0.04
     6   6    -0.04   0.02  -0.12     0.02  -0.03  -0.00    -0.04  -0.06  -0.01
     7   6     0.00  -0.05   0.03    -0.02   0.04  -0.03     0.05   0.09  -0.08
     8   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.01    -0.08  -0.05  -0.05
     9   8     0.05   0.03  -0.02    -0.01  -0.01   0.01    -0.04  -0.07   0.03
    10   6     0.01   0.02   0.04    -0.01  -0.02  -0.01     0.11   0.19   0.01
    11   1     0.03   0.10   0.39    -0.02   0.08   0.54     0.10   0.06  -0.18
    12   1    -0.11   0.02   0.49    -0.03   0.12   0.54    -0.20  -0.04  -0.04
    13   1    -0.06   0.05   0.56     0.01   0.05   0.10    -0.19  -0.23  -0.12
    14   1    -0.03   0.06   0.09    -0.01   0.06   0.49     0.08  -0.01   0.14
    15   1    -0.04   0.00   0.08     0.09  -0.01  -0.07     0.26   0.03  -0.13
    16   6    -0.01  -0.00   0.02     0.00   0.00  -0.02    -0.02   0.10   0.07
    17   1    -0.06   0.02  -0.04    -0.03  -0.03  -0.00    -0.00  -0.16   0.01
    18   1    -0.01  -0.01   0.05    -0.02  -0.02  -0.00    -0.10  -0.12  -0.12
    19   1     0.12   0.19  -0.08    -0.03  -0.05   0.01     0.15   0.25  -0.03
    20   1    -0.09  -0.15  -0.07     0.01  -0.00   0.01     0.25   0.13  -0.06
    21   1    -0.07   0.12   0.11     0.10  -0.12  -0.11     0.05  -0.17  -0.14
    22   1     0.02   0.02  -0.10    -0.02   0.02   0.15    -0.10  -0.03   0.21
    23   1    -0.01   0.03  -0.07     0.04  -0.05   0.04    -0.13   0.10   0.36
                     19                     20                     21
                      A                      A                      A
 Frequencies --    877.7424               889.5115               935.5473
 Red. masses --      1.3484                 2.7790                 2.7401
 Frc consts  --      0.6121                 1.2955                 1.4130
 IR Inten    --      0.0483                 3.4335                14.7731
 RamAct Fr= 1--      0.9101                 3.5651                 3.7345
  Dep-P Fr= 1--      0.5288                 0.1949                 0.7433
  Dep-U Fr= 1--      0.6918                 0.3263                 0.8528
 Alpha2 Fr= 1--      0.0039                 0.0491                 0.0004
 Beta2  Fr= 1--      0.1049                 0.1939                 0.5308
 AlphaG Fr= 1--     -0.0149                 0.0371                 0.0018
 Gamma2 Fr= 1--      0.5780                 1.5968                -1.0597
 Delta2 Fr= 1--      0.1515                 1.3731                -0.4339
 Raman1 Fr= 1--       3.640                 14.260                 14.938
 ROA1   Fr= 1--      60.336                197.231               -115.616
 CID1   Fr= 1--      16.574                 13.831                 -7.740
 Raman2 Fr= 1--       1.259                  2.326                  6.369
 ROA2   Fr= 1--      12.661                 27.338                -21.961
 CID2   Fr= 1--      10.055                 11.752                 -3.448
 Raman3 Fr= 1--       2.518                  4.653                 12.739
 ROA3   Fr= 1--      60.336                197.231               -115.616
 CID3   Fr= 1--      23.959                 42.392                 -9.076
 RC180  Fr= 1--       0.384                 -0.347                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.06     0.10   0.08   0.00     0.02   0.01   0.02
     2   6     0.01  -0.01  -0.04    -0.07   0.03  -0.01    -0.05   0.00   0.02
     3   6    -0.01   0.03   0.09     0.04  -0.04   0.00     0.02   0.01  -0.03
     4   6    -0.00   0.00  -0.05    -0.02  -0.03   0.01    -0.02   0.00   0.01
     5   6    -0.01   0.00   0.03     0.01  -0.05   0.00     0.02   0.00  -0.00
     6   6     0.01  -0.01  -0.10     0.01  -0.09   0.02    -0.01  -0.01  -0.03
     7   6    -0.01  -0.01   0.00    -0.18  -0.00   0.06    -0.04   0.06   0.08
     8   6     0.02   0.01   0.00     0.07   0.08   0.19    -0.13   0.17  -0.11
     9   8     0.01   0.00  -0.01     0.02   0.03  -0.08    -0.06  -0.06   0.11
    10   6    -0.01  -0.01   0.03    -0.01   0.08  -0.01     0.15  -0.10   0.03
    11   1     0.03  -0.08  -0.41     0.15   0.02  -0.04     0.08  -0.06  -0.09
    12   1    -0.01   0.05   0.29    -0.09  -0.02  -0.03    -0.05  -0.06  -0.16
    13   1     0.05  -0.08  -0.53    -0.04  -0.05   0.02     0.01   0.05   0.18
    14   1    -0.05   0.11   0.60     0.12  -0.07   0.04    -0.01   0.03   0.16
    15   1    -0.07   0.03   0.03    -0.38  -0.21  -0.11     0.10   0.32   0.28
    16   6    -0.00  -0.01   0.01    -0.00  -0.08  -0.13     0.05  -0.09  -0.09
    17   1    -0.02   0.02  -0.01     0.47   0.28   0.19     0.19   0.17  -0.03
    18   1     0.02   0.02   0.04    -0.01  -0.13  -0.14    -0.18   0.02  -0.35
    19   1     0.02   0.08  -0.04     0.02   0.04   0.01     0.15   0.00  -0.04
    20   1    -0.06  -0.11  -0.04    -0.09   0.11   0.02     0.28  -0.18  -0.05
    21   1    -0.03   0.05   0.05     0.13  -0.12  -0.16    -0.05   0.09   0.05
    22   1     0.01   0.01  -0.05     0.01   0.04   0.11     0.10  -0.06  -0.30
    23   1     0.01  -0.00  -0.05     0.17  -0.19  -0.21     0.04  -0.03  -0.26
                     22                     23                     24
                      A                      A                      A
 Frequencies --    941.7504               964.2064               977.4966
 Red. masses --      1.3896                 1.2465                 1.6451
 Frc consts  --      0.7261                 0.6828                 0.9261
 IR Inten    --      2.5474                 0.0874                11.6532
 RamAct Fr= 1--      0.5885                 0.0882                 1.1567
  Dep-P Fr= 1--      0.7110                 0.5486                 0.7168
  Dep-U Fr= 1--      0.8311                 0.7085                 0.8350
 Alpha2 Fr= 1--      0.0004                 0.0003                 0.0007
 Beta2  Fr= 1--      0.0815                 0.0104                 0.1610
 AlphaG Fr= 1--     -0.0003                -0.0036                 0.0083
 Gamma2 Fr= 1--      0.7851                -0.2838                 0.6300
 Delta2 Fr= 1--     -0.0578                 0.2185                 0.1888
 Raman1 Fr= 1--       2.354                  0.353                  4.627
 ROA1   Fr= 1--      73.525                -20.250                 66.520
 CID1   Fr= 1--      31.232                -57.398                 14.377
 Raman2 Fr= 1--       0.978                  0.125                  1.932
 ROA2   Fr= 1--      19.306                 -8.559                 13.610
 CID2   Fr= 1--      19.734                -68.481                  7.045
 Raman3 Fr= 1--       1.957                  0.250                  3.864
 ROA3   Fr= 1--      73.525                -20.250                 66.520
 CID3   Fr= 1--      37.579                -81.009                 17.217
 RC180  Fr= 1--       0.662                  0.417                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05     0.01  -0.02  -0.09     0.01   0.01  -0.00
     2   6     0.01   0.01   0.08    -0.01   0.02   0.08    -0.03   0.01  -0.01
     3   6     0.00  -0.01  -0.10    -0.00   0.01   0.06     0.00  -0.03   0.00
     4   6     0.00   0.01   0.04    -0.00   0.00   0.01    -0.01   0.01   0.01
     5   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.02  -0.01  -0.04
     6   6     0.01  -0.01  -0.09     0.00  -0.01  -0.04     0.00  -0.02   0.03
     7   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03  -0.03  -0.06
     8   6     0.02  -0.03   0.00     0.01   0.01   0.00     0.13   0.07  -0.05
     9   8     0.01   0.01  -0.02    -0.00  -0.00   0.00    -0.05  -0.03   0.04
    10   6    -0.03   0.01   0.02     0.00   0.00  -0.01     0.04   0.00   0.05
    11   1     0.01  -0.05  -0.27    -0.04   0.11   0.61     0.01   0.01  -0.00
    12   1     0.05  -0.09  -0.48     0.04  -0.10  -0.53    -0.03   0.02   0.02
    13   1    -0.03   0.11   0.54     0.03  -0.08  -0.43    -0.01  -0.03   0.02
    14   1    -0.04   0.10   0.53    -0.02   0.05   0.31     0.03  -0.03  -0.10
    15   1     0.04  -0.06  -0.05    -0.00   0.00   0.00    -0.07   0.03  -0.01
    16   6    -0.01   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.02   0.03
    17   1    -0.07  -0.03  -0.02    -0.00   0.00   0.00    -0.27  -0.02  -0.10
    18   1     0.03   0.00   0.09     0.01   0.02   0.00     0.23   0.39   0.25
    19   1    -0.02   0.07  -0.03    -0.01  -0.01   0.01     0.03   0.16  -0.06
    20   1    -0.07  -0.06  -0.03     0.02   0.01   0.00     0.12  -0.15  -0.08
    21   1     0.04  -0.03  -0.03     0.00   0.01   0.01     0.11   0.14   0.17
    22   1    -0.02   0.03   0.10    -0.00   0.01   0.02    -0.01   0.31   0.33
    23   1     0.02  -0.02   0.03     0.02  -0.01  -0.02     0.25  -0.19  -0.36
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.0376              1037.8521              1063.5107
 Red. masses --      2.0015                 1.8237                 2.4345
 Frc consts  --      1.2366                 1.1574                 1.6224
 IR Inten    --     15.0341                 2.5286                 8.1768
 RamAct Fr= 1--      3.1261                 1.2529                42.1311
  Dep-P Fr= 1--      0.4255                 0.3795                 0.0465
  Dep-U Fr= 1--      0.5970                 0.5502                 0.0889
 Alpha2 Fr= 1--      0.0211                 0.0100                 0.8392
 Beta2  Fr= 1--      0.3110                 0.1149                 0.6240
 AlphaG Fr= 1--      0.0557                 0.0058                -0.0536
 Gamma2 Fr= 1--      1.1840                -0.3850                 1.0878
 Delta2 Fr= 1--      0.3223                -0.0669                 0.6353
 Raman1 Fr= 1--      12.504                  5.012                168.524
 ROA1   Fr= 1--     123.978                -39.102                124.755
 CID1   Fr= 1--       9.915                 -7.802                  0.740
 Raman2 Fr= 1--       3.732                  1.379                  7.488
 ROA2   Fr= 1--      25.838                 -8.705                 21.024
 CID2   Fr= 1--       6.923                 -6.313                  2.808
 Raman3 Fr= 1--       7.465                  2.758                 14.976
 ROA3   Fr= 1--     123.978                -39.102                124.755
 CID3   Fr= 1--      16.609                -14.180                  8.330
 RC180  Fr= 1--       0.194                  0.100                 -0.822
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.01  -0.04  -0.00     0.11   0.17  -0.02
     2   6     0.00   0.02  -0.00     0.01  -0.02   0.00     0.17  -0.12   0.03
     3   6     0.00  -0.03   0.00    -0.01   0.07   0.00    -0.10   0.09  -0.02
     4   6    -0.03   0.04   0.03     0.02  -0.03   0.00    -0.03  -0.03  -0.00
     5   6    -0.01  -0.03  -0.09     0.02  -0.04  -0.10    -0.05   0.01  -0.00
     6   6     0.01  -0.05   0.04    -0.02   0.09   0.02    -0.06  -0.11   0.02
     7   6    -0.00   0.14   0.02    -0.01  -0.07   0.05     0.00  -0.01   0.00
     8   6     0.02  -0.09  -0.01    -0.04   0.03  -0.01     0.01   0.03  -0.03
     9   8     0.05  -0.04  -0.04     0.02   0.02  -0.04     0.03  -0.03   0.02
    10   6    -0.09   0.07   0.12     0.03  -0.02   0.16    -0.02   0.02   0.00
    11   1    -0.03   0.08   0.04     0.05  -0.10   0.07    -0.03   0.35  -0.07
    12   1     0.04   0.08  -0.05    -0.03  -0.13   0.00     0.10  -0.34   0.07
    13   1     0.03  -0.03  -0.02     0.01   0.05  -0.11    -0.54   0.02  -0.04
    14   1     0.06  -0.07  -0.08    -0.03   0.06  -0.15    -0.50  -0.21  -0.00
    15   1    -0.07   0.42   0.25     0.14  -0.27  -0.13     0.11  -0.01  -0.00
    16   6     0.06  -0.07  -0.03    -0.00   0.05  -0.03     0.00   0.01  -0.00
    17   1    -0.16  -0.07  -0.06     0.09   0.17  -0.04    -0.01   0.03  -0.03
    18   1    -0.01  -0.24   0.26    -0.07  -0.07  -0.07     0.01   0.01   0.02
    19   1    -0.08   0.36  -0.10     0.05   0.44  -0.17     0.02   0.02   0.00
    20   1    -0.15  -0.26  -0.13    -0.12  -0.49  -0.18     0.08   0.02  -0.01
    21   1    -0.11   0.15   0.14     0.10  -0.19  -0.21     0.01  -0.02  -0.02
    22   1     0.11  -0.06  -0.35    -0.08  -0.05   0.19    -0.01  -0.01   0.02
    23   1    -0.03   0.05  -0.17    -0.02  -0.01   0.20    -0.01   0.00   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1088.8058              1131.5103              1144.2251
 Red. masses --      2.1825                 2.1641                 3.4227
 Frc consts  --      1.5244                 1.6325                 2.6402
 IR Inten    --     10.3766                 6.5338                61.9838
 RamAct Fr= 1--      8.9893                 2.8591                 1.9001
  Dep-P Fr= 1--      0.1473                 0.5202                 0.2160
  Dep-U Fr= 1--      0.2568                 0.6844                 0.3552
 Alpha2 Fr= 1--      0.1399                 0.0128                 0.0247
 Beta2  Fr= 1--      0.3847                 0.3261                 0.1125
 AlphaG Fr= 1--     -0.0123                 0.0326                -0.0528
 Gamma2 Fr= 1--     -1.0965                 0.6798                -0.0274
 Delta2 Fr= 1--      0.4334                -0.4415                 0.6451
 Raman1 Fr= 1--      35.957                 11.436                  7.600
 ROA1   Fr= 1--     -91.397                 51.129                 18.009
 CID1   Fr= 1--      -2.542                  4.471                  2.370
 Raman2 Fr= 1--       4.617                  3.914                  1.350
 ROA2   Fr= 1--     -29.783                 19.846                 -5.819
 CID2   Fr= 1--      -6.451                  5.071                 -4.311
 Raman3 Fr= 1--       9.233                  7.827                  2.700
 ROA3   Fr= 1--     -91.397                 51.129                 18.009
 CID3   Fr= 1--      -9.899                  6.532                  6.670
 RC180  Fr= 1--      -0.486                  0.369                 -0.290
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04   0.00    -0.00   0.04  -0.01    -0.01  -0.03   0.00
     2   6     0.03  -0.01   0.00    -0.01   0.05  -0.01     0.01   0.01   0.00
     3   6     0.01   0.04   0.01     0.05  -0.09   0.03     0.02   0.04  -0.02
     4   6     0.10  -0.07  -0.05    -0.05   0.07  -0.05    -0.03  -0.03   0.05
     5   6    -0.04  -0.02   0.03    -0.01   0.08   0.01    -0.07  -0.05   0.00
     6   6    -0.00   0.06  -0.01     0.00  -0.11   0.02     0.04   0.02  -0.00
     7   6     0.04   0.06   0.08    -0.02  -0.04   0.17    -0.07  -0.11  -0.12
     8   6    -0.04   0.03  -0.02     0.02  -0.01  -0.12     0.02   0.20  -0.10
     9   8     0.08  -0.09   0.03     0.02  -0.02   0.05     0.13  -0.16   0.08
    10   6    -0.12   0.08  -0.03    -0.05  -0.02  -0.00    -0.16   0.12   0.01
    11   1    -0.05  -0.06  -0.02    -0.18   0.23  -0.06     0.08  -0.13   0.03
    12   1     0.04   0.04   0.02     0.10   0.37  -0.05     0.03   0.06  -0.01
    13   1     0.01   0.03  -0.04     0.32  -0.05  -0.00     0.17   0.08   0.04
    14   1     0.03   0.07  -0.02    -0.12  -0.14   0.01     0.31   0.07   0.02
    15   1     0.44   0.17   0.16     0.01  -0.18   0.05    -0.29  -0.24  -0.23
    16   6    -0.10  -0.02  -0.08     0.03   0.06  -0.08     0.06   0.02   0.09
    17   1     0.08  -0.00   0.03    -0.19   0.16  -0.22     0.12   0.26  -0.09
    18   1    -0.11  -0.26   0.00     0.07   0.11   0.18    -0.01   0.02  -0.02
    19   1    -0.04  -0.06   0.06    -0.08  -0.04   0.01    -0.06   0.04   0.04
    20   1     0.02   0.19   0.04     0.09  -0.01  -0.00     0.20   0.12  -0.03
    21   1     0.25  -0.04  -0.08     0.12  -0.28  -0.34    -0.23   0.06   0.11
    22   1    -0.05   0.24   0.40    -0.08  -0.13   0.12     0.04  -0.17  -0.28
    23   1     0.25  -0.25  -0.27    -0.02  -0.02   0.25    -0.20   0.20   0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1157.1200              1186.3515              1217.2456
 Red. masses --      1.6455                 1.1203                 1.9545
 Frc consts  --      1.2981                 0.9290                 1.7063
 IR Inten    --      2.5336                 0.3320                 1.2603
 RamAct Fr= 1--      1.9425                 5.1641                11.3969
  Dep-P Fr= 1--      0.7491                 0.6178                 0.1335
  Dep-U Fr= 1--      0.8566                 0.7638                 0.2356
 Alpha2 Fr= 1--      0.0000                 0.0125                 0.1837
 Beta2  Fr= 1--      0.2773                 0.6574                 0.4475
 AlphaG Fr= 1--     -0.0000                -0.0201                -0.0759
 Gamma2 Fr= 1--      0.1478                -0.9569                -1.6196
 Delta2 Fr= 1--      0.0273                 0.0704                -1.2814
 Raman1 Fr= 1--       7.770                 20.656                 45.588
 ROA1   Fr= 1--      15.067                -89.609               -196.488
 CID1   Fr= 1--       1.939                 -4.338                 -4.310
 Raman2 Fr= 1--       3.328                  7.888                  5.370
 ROA2   Fr= 1--       3.330                -23.529                -28.620
 CID2   Fr= 1--       1.001                 -2.983                 -5.330
 Raman3 Fr= 1--       6.656                 15.777                 10.739
 ROA3   Fr= 1--      15.067                -89.609               -196.488
 CID3   Fr= 1--       2.264                 -5.680                -18.296
 RC180  Fr= 1--       0.713                  0.528                 -0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.04  -0.04   0.01    -0.07  -0.03   0.00
     2   6    -0.02  -0.03   0.00     0.02   0.06  -0.01     0.03   0.00   0.00
     3   6    -0.06   0.06  -0.01    -0.03  -0.01   0.00     0.02  -0.01  -0.00
     4   6    -0.05  -0.03  -0.02     0.01  -0.00   0.00     0.22  -0.03   0.05
     5   6     0.01  -0.03   0.03     0.01   0.01   0.00     0.02  -0.07   0.02
     6   6     0.05   0.06  -0.01    -0.03   0.00  -0.00    -0.07   0.05  -0.02
     7   6    -0.05   0.04   0.09    -0.01   0.00  -0.00    -0.05   0.05   0.02
     8   6     0.07  -0.06  -0.06     0.00   0.00  -0.01     0.01  -0.02  -0.04
     9   8    -0.03   0.00   0.02     0.00  -0.00   0.00    -0.02   0.01   0.01
    10   6     0.01   0.03  -0.03    -0.01  -0.00   0.00     0.03   0.01  -0.00
    11   1     0.31  -0.32   0.08     0.39  -0.45   0.11    -0.31   0.23  -0.06
    12   1    -0.15  -0.37   0.06     0.20   0.55  -0.08     0.02  -0.04   0.01
    13   1    -0.28   0.02  -0.04    -0.37  -0.08  -0.01    -0.20  -0.06  -0.00
    14   1     0.40   0.13   0.01    -0.35  -0.06  -0.01    -0.23   0.02  -0.02
    15   1    -0.09   0.07   0.12    -0.04  -0.01  -0.01    -0.77   0.01   0.01
    16   6     0.04   0.02  -0.06     0.00   0.00  -0.00     0.02   0.00  -0.03
    17   1    -0.23   0.01  -0.14    -0.00   0.01  -0.01    -0.10   0.10  -0.11
    18   1     0.13   0.08   0.25    -0.00  -0.00   0.00     0.02   0.01   0.07
    19   1    -0.11  -0.05   0.03    -0.02  -0.00   0.00    -0.06  -0.00   0.01
    20   1     0.12   0.12   0.01    -0.00   0.00   0.00     0.15   0.03  -0.01
    21   1     0.04  -0.14  -0.18    -0.01   0.00   0.00    -0.02  -0.03  -0.06
    22   1    -0.02  -0.10  -0.02     0.00  -0.00  -0.01     0.00  -0.02  -0.01
    23   1    -0.03   0.02   0.12    -0.01   0.00   0.01    -0.04   0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1228.9168              1254.4697              1286.4224
 Red. masses --      2.9533                 1.1474                 1.5934
 Frc consts  --      2.6279                 1.0638                 1.5536
 IR Inten    --     10.0118                 8.6617                 4.6922
 RamAct Fr= 1--     20.9226                 3.9269                 5.2491
  Dep-P Fr= 1--      0.1090                 0.4432                 0.2496
  Dep-U Fr= 1--      0.1965                 0.6141                 0.3995
 Alpha2 Fr= 1--      0.3583                 0.0247                 0.0623
 Beta2  Fr= 1--      0.6853                 0.4019                 0.3495
 AlphaG Fr= 1--      0.0013                 0.0423                 0.0413
 Gamma2 Fr= 1--     -1.2289                -0.4699                 2.4798
 Delta2 Fr= 1--     -0.7372                -2.0003                -1.2005
 Raman1 Fr= 1--      83.690                 15.707                 20.996
 ROA1   Fr= 1--    -141.566               -109.117                199.640
 CID1   Fr= 1--      -1.692                 -6.947                  9.508
 Raman2 Fr= 1--       8.223                  4.823                  4.194
 ROA2   Fr= 1--     -23.597                  4.726                 69.118
 CID2   Fr= 1--      -2.870                  0.980                 16.481
 Raman3 Fr= 1--      16.446                  9.647                  8.388
 ROA3   Fr= 1--    -141.566               -109.117                199.640
 CID3   Fr= 1--      -8.608                -11.311                 23.801
 RC180  Fr= 1--      -0.607                  0.228                 -0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     2   6    -0.11  -0.00  -0.01     0.01   0.00   0.00     0.02  -0.02   0.01
     3   6    -0.05  -0.11   0.02    -0.01  -0.00  -0.00    -0.01  -0.04   0.01
     4   6     0.06   0.09  -0.01    -0.01   0.03   0.00     0.02   0.10  -0.01
     5   6     0.26   0.18  -0.01    -0.03  -0.03  -0.03    -0.11   0.05  -0.01
     6   6     0.04   0.03  -0.00    -0.01  -0.01   0.01     0.01  -0.05   0.01
     7   6     0.01  -0.02  -0.01     0.03  -0.00   0.03     0.10  -0.01   0.01
     8   6    -0.03   0.05  -0.03    -0.03   0.01  -0.01    -0.07  -0.01   0.00
     9   8     0.06  -0.06   0.03     0.04  -0.02   0.02     0.02   0.02  -0.03
    10   6    -0.14  -0.06   0.01    -0.01   0.02  -0.01    -0.00  -0.03   0.03
    11   1    -0.02   0.04  -0.01     0.01  -0.01   0.01    -0.04   0.03  -0.01
    12   1    -0.29  -0.46   0.07     0.02   0.01  -0.01     0.06   0.09  -0.01
    13   1    -0.48  -0.20   0.01    -0.07  -0.01  -0.01    -0.49  -0.13  -0.00
    14   1    -0.14   0.01  -0.00     0.13   0.01   0.00     0.61   0.06   0.03
    15   1    -0.04  -0.04  -0.04    -0.27   0.06   0.09    -0.20  -0.15  -0.10
    16   6    -0.01   0.00   0.01    -0.00   0.02  -0.02    -0.03  -0.01  -0.00
    17   1     0.07   0.08  -0.01    -0.03  -0.37   0.14     0.08   0.12  -0.02
    18   1    -0.06  -0.06  -0.04     0.06   0.41  -0.22    -0.07  -0.02  -0.12
    19   1    -0.18  -0.11   0.02     0.54  -0.00  -0.01    -0.11   0.04  -0.02
    20   1    -0.39  -0.09   0.03    -0.45   0.01   0.03     0.37  -0.07  -0.04
    21   1     0.00   0.01   0.02     0.05  -0.05  -0.08     0.07   0.05   0.06
    22   1     0.00   0.02   0.02    -0.02  -0.01   0.04     0.00   0.09   0.07
    23   1     0.00  -0.00  -0.01     0.02  -0.02   0.05     0.04  -0.06  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1310.0657              1332.4839              1348.4035
 Red. masses --      1.4228                 2.3005                 1.5786
 Frc consts  --      1.4387                 2.4066                 1.6910
 IR Inten    --      3.2855                 0.5223                 3.7080
 RamAct Fr= 1--      7.1713                10.9732                 9.5184
  Dep-P Fr= 1--      0.1881                 0.2779                 0.4399
  Dep-U Fr= 1--      0.3167                 0.4350                 0.6110
 Alpha2 Fr= 1--      0.1005                 0.1201                 0.0607
 Beta2  Fr= 1--      0.3785                 0.7955                 0.9692
 AlphaG Fr= 1--      0.1063                -0.1153                -0.1233
 Gamma2 Fr= 1--     -1.4833                -1.0616                -0.5078
 Delta2 Fr= 1--      1.5545                 1.4922                -1.8752
 Raman1 Fr= 1--      28.685                 43.893                 38.073
 ROA1   Fr= 1--     -92.650                -54.159               -108.754
 CID1   Fr= 1--      -3.230                 -1.234                 -2.856
 Raman2 Fr= 1--       4.542                  9.546                 11.631
 ROA2   Fr= 1--     -48.035                -37.416                  2.815
 CID2   Fr= 1--     -10.576                 -3.919                  0.242
 Raman3 Fr= 1--       9.083                 19.092                 23.262
 ROA3   Fr= 1--     -92.650                -54.159               -108.754
 CID3   Fr= 1--     -10.200                 -2.837                 -4.675
 RC180  Fr= 1--      -0.367                 -0.130                  0.222
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.01    -0.08   0.07  -0.02     0.04  -0.04   0.01
     2   6    -0.01  -0.05   0.01    -0.05  -0.10   0.02     0.02   0.04  -0.01
     3   6     0.06  -0.00   0.01     0.12   0.00   0.00    -0.05  -0.01  -0.00
     4   6     0.04  -0.04   0.00     0.02  -0.11   0.03     0.00   0.07   0.01
     5   6    -0.05   0.07  -0.04    -0.05   0.14  -0.02     0.01  -0.04  -0.00
     6   6     0.04   0.00   0.01     0.10   0.03   0.00    -0.06  -0.02  -0.00
     7   6    -0.05   0.04   0.00    -0.07  -0.08  -0.04     0.03  -0.13  -0.08
     8   6     0.05  -0.01  -0.02     0.02   0.04   0.04     0.03   0.02   0.02
     9   8    -0.05   0.03   0.05     0.01   0.02  -0.05    -0.04   0.01   0.03
    10   6    -0.01  -0.03  -0.03    -0.05  -0.05   0.03     0.02   0.01  -0.02
    11   1    -0.03   0.00  -0.00     0.02  -0.05   0.01    -0.05   0.06  -0.01
    12   1     0.04   0.10  -0.02     0.04   0.15  -0.02     0.01   0.00   0.00
    13   1    -0.22  -0.06  -0.01    -0.24  -0.07   0.01    -0.01   0.00   0.01
    14   1     0.11   0.02   0.00    -0.05   0.00  -0.01     0.16   0.02   0.01
    15   1     0.17  -0.20  -0.20    -0.07   0.48   0.43    -0.05   0.51   0.45
    16   6     0.01  -0.03   0.02     0.02   0.05  -0.03    -0.01   0.06  -0.02
    17   1    -0.04   0.26  -0.14    -0.03  -0.38   0.19     0.12   0.34  -0.08
    18   1    -0.03  -0.34   0.24     0.03   0.07  -0.06    -0.07  -0.40   0.17
    19   1     0.65  -0.00  -0.04    -0.03   0.04  -0.04     0.18   0.00  -0.01
    20   1    -0.26   0.04   0.04     0.32  -0.06  -0.02    -0.15   0.05   0.03
    21   1    -0.05   0.06   0.08    -0.02  -0.09  -0.14     0.03  -0.07  -0.11
    22   1     0.04   0.01  -0.06    -0.06  -0.09   0.07    -0.09  -0.07   0.12
    23   1    -0.04   0.03  -0.05    -0.03   0.03   0.14     0.04  -0.03   0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1359.6073              1382.8457              1403.0985
 Red. masses --      1.8434                 1.2976                 1.2715
 Frc consts  --      2.0076                 1.4619                 1.4749
 IR Inten    --      2.6903                 3.4691                 7.5370
 RamAct Fr= 1--      3.3911                 0.5913                 1.6649
  Dep-P Fr= 1--      0.0638                 0.4188                 0.3029
  Dep-U Fr= 1--      0.1199                 0.5903                 0.4650
 Alpha2 Fr= 1--      0.0648                 0.0041                 0.0169
 Beta2  Fr= 1--      0.0678                 0.0582                 0.1290
 AlphaG Fr= 1--      0.0673                 0.0078                -0.0193
 Gamma2 Fr= 1--      0.4056                -0.1761                 0.2137
 Delta2 Fr= 1--      0.8403                -0.2279                -0.0953
 Raman1 Fr= 1--      13.564                  2.365                  6.660
 ROA1   Fr= 1--      65.826                -24.201                 17.461
 CID1   Fr= 1--       4.853                -10.233                  2.622
 Raman2 Fr= 1--       0.813                  0.698                  1.548
 ROA2   Fr= 1--       3.012                 -2.403                  5.891
 CID2   Fr= 1--       3.705                 -3.443                  3.805
 Raman3 Fr= 1--       1.626                  1.396                  3.097
 ROA3   Fr= 1--      65.826                -24.201                 17.461
 CID3   Fr= 1--      40.480                -17.335                  5.639
 RC180  Fr= 1--      -0.760                  0.181                 -0.070
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.08   0.02     0.02  -0.00   0.00     0.01  -0.00   0.00
     2   6     0.02   0.04  -0.01     0.01   0.04  -0.01     0.01   0.03  -0.00
     3   6    -0.02  -0.01   0.00    -0.05  -0.01  -0.00    -0.03  -0.01   0.00
     4   6     0.10   0.08  -0.02    -0.01   0.01   0.00     0.01   0.00  -0.00
     5   6     0.01  -0.03   0.01     0.04  -0.01   0.00     0.02  -0.00   0.00
     6   6    -0.09  -0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
     7   6    -0.17  -0.02   0.01     0.04  -0.00   0.03    -0.02   0.01  -0.01
     8   6     0.05   0.05   0.02     0.02   0.07  -0.01    -0.02  -0.04   0.01
     9   8    -0.00  -0.00  -0.03    -0.02   0.03  -0.02     0.01   0.02  -0.00
    10   6     0.00  -0.00   0.01    -0.08  -0.04   0.01    -0.07  -0.03   0.01
    11   1    -0.21   0.20  -0.06     0.08  -0.07   0.02     0.04  -0.04   0.01
    12   1     0.04   0.09  -0.01    -0.06  -0.14   0.02    -0.04  -0.10   0.01
    13   1    -0.24  -0.05  -0.01     0.18   0.03   0.01     0.11   0.02  -0.00
    14   1     0.29   0.05   0.01    -0.09  -0.03  -0.00    -0.05  -0.02  -0.00
    15   1     0.62  -0.03  -0.02    -0.19  -0.12  -0.06     0.08   0.06   0.03
    16   6     0.05   0.00   0.01    -0.02   0.02   0.02     0.04  -0.05  -0.09
    17   1    -0.13  -0.42   0.16    -0.14  -0.40   0.13     0.09   0.13  -0.02
    18   1     0.05   0.07  -0.01    -0.11  -0.42   0.07     0.05   0.21  -0.01
    19   1    -0.02   0.00  -0.00     0.40   0.06  -0.06     0.28   0.08  -0.06
    20   1     0.09  -0.00  -0.00     0.48   0.05  -0.00     0.32   0.06   0.02
    21   1    -0.17  -0.04  -0.03     0.07  -0.09  -0.06    -0.16   0.37   0.26
    22   1     0.00  -0.12  -0.07    -0.01  -0.05  -0.11     0.02   0.14   0.43
    23   1    -0.06   0.09  -0.01     0.10  -0.05  -0.08    -0.28   0.08   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.1794              1486.7781              1490.0524
 Red. masses --      1.3198                 1.6298                 1.1659
 Frc consts  --      1.5706                 2.1227                 1.5252
 IR Inten    --      9.9674                 9.4606                 1.4798
 RamAct Fr= 1--      4.3433                 3.7150                13.4295
  Dep-P Fr= 1--      0.5233                 0.5405                 0.6524
  Dep-U Fr= 1--      0.6871                 0.7017                 0.7897
 Alpha2 Fr= 1--      0.0191                 0.0150                 0.0235
 Beta2  Fr= 1--      0.4974                 0.4345                 1.7675
 AlphaG Fr= 1--     -0.0480                -0.0038                 0.0402
 Gamma2 Fr= 1--     -0.1682                -0.0841                -0.1331
 Delta2 Fr= 1--      0.2151                 1.8066                -0.0046
 Raman1 Fr= 1--      17.373                 14.860                 53.718
 ROA1   Fr= 1--      -9.268                 49.742                -12.922
 CID1   Fr= 1--      -0.533                  3.347                 -0.241
 Raman2 Fr= 1--       5.968                  5.214                 21.209
 ROA2   Fr= 1--      -5.759                -16.471                 -3.157
 CID2   Fr= 1--      -0.965                 -3.159                 -0.149
 Raman3 Fr= 1--      11.937                 10.428                 42.419
 ROA3   Fr= 1--      -9.268                 49.742                -12.922
 CID3   Fr= 1--      -0.776                  4.770                 -0.305
 RC180  Fr= 1--       0.374                  0.403                  0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00     0.10  -0.05   0.02    -0.04   0.03  -0.01
     2   6     0.01   0.02  -0.00    -0.07  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.00   0.00     0.01   0.07  -0.01    -0.01  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.08  -0.06   0.01     0.03   0.01   0.00
     5   6     0.02  -0.01  -0.00     0.09  -0.01   0.01    -0.04   0.02  -0.01
     6   6    -0.01  -0.00  -0.00    -0.04   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.03   0.01  -0.03     0.02   0.02   0.00    -0.01   0.01   0.00
     8   6    -0.03  -0.09   0.03     0.00   0.00  -0.01     0.03   0.01   0.02
     9   8     0.02   0.02   0.00     0.00  -0.01   0.00     0.01  -0.01   0.01
    10   6    -0.08  -0.03   0.01    -0.02  -0.05  -0.00     0.02  -0.05   0.00
    11   1     0.01  -0.02   0.00    -0.24   0.34  -0.08     0.11  -0.14   0.03
    12   1    -0.03  -0.07   0.01     0.10   0.40  -0.07    -0.03  -0.15   0.02
    13   1     0.02   0.00   0.00    -0.09   0.06  -0.02     0.07  -0.01   0.01
    14   1    -0.05  -0.01  -0.00     0.11   0.09  -0.01     0.01  -0.03   0.01
    15   1     0.16   0.11   0.05    -0.09  -0.01  -0.02     0.01  -0.02  -0.02
    16   6    -0.02   0.03   0.07    -0.02  -0.01  -0.01     0.01   0.02  -0.01
    17   1     0.14   0.39  -0.11    -0.01  -0.02  -0.00    -0.34   0.07  -0.09
    18   1     0.10   0.44  -0.11     0.00   0.01   0.00    -0.03  -0.08  -0.34
    19   1     0.28   0.11  -0.08    -0.04   0.37  -0.28    -0.14   0.37  -0.27
    20   1     0.31   0.09   0.04     0.02   0.37   0.30    -0.14   0.34   0.30
    21   1     0.08  -0.28  -0.19     0.22   0.07   0.07    -0.20   0.10   0.05
    22   1    -0.01  -0.09  -0.30     0.04   0.07  -0.12    -0.13  -0.28   0.10
    23   1     0.16  -0.02  -0.28    -0.00  -0.06   0.15     0.19  -0.13  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1493.8160              1504.3650              1506.9346
 Red. masses --      1.0923                 1.1050                 1.1550
 Frc consts  --      1.4361                 1.4734                 1.5453
 IR Inten    --      6.0169                 1.5069                 6.3065
 RamAct Fr= 1--      2.9604                 4.7956                 3.3103
  Dep-P Fr= 1--      0.7099                 0.7487                 0.3225
  Dep-U Fr= 1--      0.8303                 0.8563                 0.4877
 Alpha2 Fr= 1--      0.0021                 0.0001                 0.0317
 Beta2  Fr= 1--      0.4097                 0.6844                 0.2691
 AlphaG Fr= 1--      0.0164                -0.0027                -0.0251
 Gamma2 Fr= 1--     -2.0098                 0.2424                -0.9578
 Delta2 Fr= 1--     -1.1145                -1.0861                 0.7575
 Raman1 Fr= 1--      11.842                 19.182                 13.241
 ROA1   Fr= 1--    -228.607                -11.485                -67.710
 CID1   Fr= 1--     -19.305                 -0.599                 -5.114
 Raman2 Fr= 1--       4.916                  8.213                  3.229
 ROA2   Fr= 1--     -39.319                 14.507                -29.047
 CID2   Fr= 1--      -7.998                  1.766                 -8.996
 Raman3 Fr= 1--       9.832                 16.426                  6.458
 ROA3   Fr= 1--    -228.607                -11.485                -67.710
 CID3   Fr= 1--     -23.251                 -0.699                -10.485
 RC180  Fr= 1--       0.661                  0.713                 -0.025
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.00    -0.02   0.01  -0.00    -0.04   0.01  -0.00
     2   6     0.02   0.02  -0.00     0.02   0.03  -0.00     0.02   0.03  -0.00
     3   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.02  -0.02   0.00
     4   6     0.02   0.01   0.00     0.02   0.01  -0.00     0.02   0.02  -0.00
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.00    -0.03  -0.01  -0.00
     6   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     7   6     0.00  -0.02   0.01    -0.04  -0.02  -0.01    -0.02  -0.00  -0.00
     8   6    -0.01   0.01  -0.01     0.03   0.01   0.03    -0.04   0.01  -0.05
     9   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    10   6     0.02  -0.03   0.00     0.00   0.01   0.00     0.03  -0.03   0.00
    11   1     0.07  -0.09   0.02     0.04  -0.07   0.02     0.05  -0.10   0.02
    12   1    -0.01  -0.08   0.01    -0.03  -0.10   0.02    -0.04  -0.14   0.02
    13   1     0.06  -0.01  -0.00     0.00  -0.02  -0.00    -0.02  -0.03   0.00
    14   1     0.03  -0.01   0.01    -0.03  -0.02   0.00    -0.05  -0.03   0.00
    15   1    -0.03   0.02   0.05     0.08   0.03   0.03     0.05  -0.03  -0.03
    16   6     0.01  -0.04   0.02    -0.04  -0.02  -0.01    -0.02   0.01  -0.00
    17   1     0.09  -0.07   0.04    -0.28   0.06  -0.06     0.50  -0.17   0.14
    18   1    -0.01  -0.02   0.12    -0.01  -0.04  -0.28     0.03   0.12   0.53
    19   1    -0.09   0.22  -0.17    -0.00  -0.02   0.02    -0.08   0.17  -0.13
    20   1    -0.09   0.21   0.19    -0.01  -0.03  -0.02    -0.06   0.16   0.14
    21   1     0.00  -0.29  -0.21     0.61   0.08   0.10     0.21   0.14   0.12
    22   1     0.21   0.48   0.07     0.16   0.27  -0.38    -0.04  -0.14  -0.19
    23   1    -0.39   0.39  -0.22    -0.11  -0.05   0.38     0.15  -0.20   0.22
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2893              1625.7984              1651.6722
 Red. masses --      2.3865                 6.4059                 5.7908
 Frc consts  --      3.2971                 9.9762                 9.3076
 IR Inten    --     15.9820                 2.1688                 1.3194
 RamAct Fr= 1--      0.9312                15.1902                27.6901
  Dep-P Fr= 1--      0.6530                 0.4610                 0.7308
  Dep-U Fr= 1--      0.7901                 0.6311                 0.8445
 Alpha2 Fr= 1--      0.0016                 0.0890                 0.0091
 Beta2  Fr= 1--      0.1226                 1.5978                 3.8972
 AlphaG Fr= 1--     -0.0168                -0.2464                -0.0115
 Gamma2 Fr= 1--     -0.2850                 2.5430                -1.9383
 Delta2 Fr= 1--      0.2520                -1.5810                 3.0729
 Raman1 Fr= 1--       3.725                 60.761                110.761
 ROA1   Fr= 1--     -19.301                193.538                -87.750
 CID1   Fr= 1--      -5.182                  3.185                 -0.792
 Raman2 Fr= 1--       1.471                 19.174                 46.767
 ROA2   Fr= 1--      -8.857                 73.680                -71.103
 CID2   Fr= 1--      -6.020                  3.843                 -1.520
 Raman3 Fr= 1--       2.943                 38.347                 93.534
 ROA3   Fr= 1--     -19.301                193.538                -87.750
 CID3   Fr= 1--      -6.559                  5.047                 -0.938
 RC180  Fr= 1--       0.580                  0.262                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.02     0.15  -0.29   0.06    -0.21   0.05  -0.02
     2   6    -0.05   0.09  -0.02     0.03   0.33  -0.06     0.18   0.12  -0.01
     3   6     0.16   0.04   0.00    -0.03   0.15  -0.03     0.33   0.04   0.01
     4   6    -0.11   0.11  -0.03    -0.00  -0.32   0.06    -0.21  -0.08   0.00
     5   6    -0.05  -0.14   0.02    -0.11   0.30  -0.06     0.23   0.00   0.02
     6   6     0.16   0.02   0.01     0.02  -0.15   0.03    -0.33  -0.08  -0.01
     7   6     0.02  -0.03   0.01     0.01   0.04  -0.01     0.03   0.01   0.00
     8   6     0.01   0.01   0.01     0.00  -0.01  -0.00     0.01   0.00   0.00
     9   8     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.02  -0.00     0.02  -0.03   0.01    -0.03   0.00  -0.00
    11   1    -0.25   0.14  -0.04    -0.33   0.24  -0.07     0.04  -0.27   0.05
    12   1    -0.18  -0.22   0.03    -0.22  -0.35   0.05     0.06  -0.26   0.05
    13   1    -0.54  -0.09  -0.02    -0.05   0.15  -0.03    -0.42  -0.10  -0.00
    14   1    -0.54  -0.12  -0.02     0.02  -0.16   0.03     0.45   0.07   0.02
    15   1     0.10  -0.02   0.01    -0.20   0.03   0.00    -0.07  -0.01  -0.01
    16   6     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.01
    17   1    -0.08   0.02  -0.02     0.01  -0.01  -0.00    -0.03  -0.00  -0.00
    18   1    -0.02  -0.06  -0.08     0.02   0.05   0.02     0.00  -0.02  -0.02
    19   1     0.07   0.11  -0.07    -0.11  -0.08   0.04     0.04  -0.04   0.03
    20   1     0.09   0.13   0.07    -0.16  -0.12  -0.04     0.07  -0.01  -0.03
    21   1    -0.08  -0.03  -0.03    -0.00  -0.01  -0.01    -0.03   0.01   0.00
    22   1     0.01   0.03   0.08    -0.01  -0.01   0.00    -0.00   0.01   0.05
    23   1    -0.05   0.06  -0.06     0.02  -0.01  -0.03    -0.01   0.01  -0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.9015              2973.9070              3016.6346
 Red. masses --      1.0729                 1.0708                 1.0828
 Frc consts  --      5.4786                 5.5796                 5.8057
 IR Inten    --     53.9367                59.4086                33.5760
 RamAct Fr= 1--    195.1892               117.9487               123.3493
  Dep-P Fr= 1--      0.1829                 0.1916                 0.1927
  Dep-U Fr= 1--      0.3093                 0.3216                 0.3231
 Alpha2 Fr= 1--      2.7723                 1.6376                 1.7077
 Beta2  Fr= 1--     10.0621                 6.3225                 6.6434
 AlphaG Fr= 1--      3.3444                -0.5329                -2.5680
 Gamma2 Fr= 1--     12.3043               -10.5680               -10.9995
 Delta2 Fr= 1--      4.7415                -1.5076                -2.7712
 Raman1 Fr= 1--     780.757                471.795                493.397
 ROA1   Fr= 1--    1332.937              -1062.771              -1144.634
 CID1   Fr= 1--       1.707                 -2.253                 -2.320
 Raman2 Fr= 1--     120.745                 75.870                 79.720
 ROA2   Fr= 1--     257.370               -241.571               -241.820
 CID2   Fr= 1--       2.132                 -3.184                 -3.033
 Raman3 Fr= 1--     241.490                151.740                159.441
 ROA3   Fr= 1--    1332.937              -1062.771              -1144.634
 CID3   Fr= 1--       5.520                 -7.004                 -7.179
 RC180  Fr= 1--      -0.381                 -0.357                 -0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.01   0.01    -0.00   0.05  -0.06
     8   6     0.00   0.00   0.00     0.00  -0.03  -0.07     0.00  -0.00  -0.01
     9   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00    -0.01   0.10  -0.13     0.02  -0.62   0.75
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    17   1     0.01  -0.03  -0.05    -0.19   0.33   0.88    -0.03   0.06   0.15
    18   1    -0.02   0.00   0.00     0.19  -0.06  -0.02     0.02  -0.00  -0.00
    19   1    -0.01   0.56   0.82    -0.01   0.03   0.04    -0.00   0.01   0.01
    20   1    -0.02   0.05  -0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.03  -0.04
    22   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.10   0.04  -0.02
    23   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.05   0.05   0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.0658              3075.6648              3085.9820
 Red. masses --      1.0363                 1.0879                 1.0935
 Frc consts  --      5.6171                 6.0636                 6.1354
 IR Inten    --     31.9269                21.3002                27.4126
 RamAct Fr= 1--    224.0615               110.2985               130.7460
  Dep-P Fr= 1--      0.0414                 0.3352                 0.2330
  Dep-U Fr= 1--      0.0796                 0.5021                 0.3780
 Alpha2 Fr= 1--      4.5169                 1.0154                 1.6243
 Beta2  Fr= 1--      2.9717                 9.2295                 8.2360
 AlphaG Fr= 1--      0.4379                -1.8851                -0.1295
 Gamma2 Fr= 1--      1.0253                -4.4785                 2.0783
 Delta2 Fr= 1--      1.7780                -0.8544                 0.2277
 Raman1 Fr= 1--     896.246                441.194                522.984
 ROA1   Fr= 1--     155.323               -457.279                206.802
 CID1   Fr= 1--       0.173                 -1.036                  0.395
 Raman2 Fr= 1--      35.660                110.754                 98.832
 ROA2   Fr= 1--      10.382               -100.649                 48.058
 CID2   Fr= 1--       0.291                 -0.909                  0.486
 Raman3 Fr= 1--      71.320                221.509                197.663
 ROA3   Fr= 1--     155.323               -457.279                206.802
 CID3   Fr= 1--       2.178                 -2.064                  1.046
 RC180  Fr= 1--      -0.841                  0.004                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.08   0.03   0.02
     9   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.01   0.04  -0.07     0.00  -0.01   0.01
    11   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.02  -0.01     0.00  -0.01   0.00
    15   1     0.00  -0.05   0.06     0.00   0.00  -0.00    -0.00  -0.01   0.01
    16   6    -0.03   0.03   0.03     0.00   0.00   0.00     0.01   0.00   0.01
    17   1    -0.00   0.01   0.03     0.00  -0.01  -0.02     0.02  -0.06  -0.16
    18   1    -0.03   0.01   0.00     0.09  -0.02  -0.01     0.92  -0.25  -0.06
    19   1    -0.00   0.00   0.00     0.00   0.07   0.07     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.10  -0.59   0.79    -0.01   0.06  -0.08
    21   1     0.01   0.32  -0.38     0.00   0.00  -0.00     0.01   0.06  -0.07
    22   1     0.65  -0.27   0.11    -0.01   0.00  -0.00    -0.09   0.04  -0.02
    23   1    -0.32  -0.36  -0.11    -0.01  -0.01  -0.00    -0.08  -0.11  -0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3096.2558              3111.1214              3153.7078
 Red. masses --      1.0997                 1.1022                 1.0870
 Frc consts  --      6.2116                 6.2858                 6.3697
 IR Inten    --     45.6651                16.4119                14.1620
 RamAct Fr= 1--    113.2312                31.4944                35.5805
  Dep-P Fr= 1--      0.6718                 0.7005                 0.3912
  Dep-U Fr= 1--      0.8037                 0.8239                 0.5624
 Alpha2 Fr= 1--      0.1569                 0.0272                 0.2719
 Beta2  Fr= 1--     15.1672                 4.3246                 3.3353
 AlphaG Fr= 1--     -0.0616                 0.0195                -0.1021
 Gamma2 Fr= 1--     -4.3905                 4.4901                -0.0850
 Delta2 Fr= 1--     -3.3511                 4.5509                 1.0621
 Raman1 Fr= 1--     452.925                125.978                142.322
 ROA1   Fr= 1--    -528.726                576.680                 25.823
 CID1   Fr= 1--      -1.167                  4.578                  0.181
 Raman2 Fr= 1--     182.006                 51.895                 40.023
 ROA2   Fr= 1--     -78.564                 71.355                -10.537
 CID2   Fr= 1--      -0.432                  1.375                 -0.263
 Raman3 Fr= 1--     364.013                103.790                 80.046
 ROA3   Fr= 1--    -528.726                576.680                 25.823
 CID3   Fr= 1--      -1.452                  5.556                  0.323
 RC180  Fr= 1--       0.607                  0.648                  0.125
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.07   0.01
     7   6    -0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
     8   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.15  -0.13   0.01
    12   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.30  -0.10   0.04
    13   1     0.00  -0.01   0.00    -0.00   0.02  -0.00    -0.06   0.32  -0.06
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.16   0.83  -0.16
    15   1     0.00  -0.03   0.04     0.00  -0.06   0.07    -0.00   0.00  -0.00
    16   6    -0.08   0.00  -0.04     0.02   0.08  -0.04    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.18  -0.05  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    21   1    -0.03  -0.23   0.26    -0.02  -0.50   0.61     0.00   0.00  -0.00
    22   1     0.60  -0.26   0.10     0.13  -0.03   0.01     0.00  -0.00   0.00
    23   1     0.38   0.48   0.14    -0.37  -0.43  -0.14     0.00   0.01   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3158.2020              3177.3846              3192.6550
 Red. masses --      1.0880                 1.0905                 1.0966
 Frc consts  --      6.3941                 6.4868                 6.5858
 IR Inten    --      2.6554                17.8085                20.1273
 RamAct Fr= 1--    131.6261                79.0169               284.0406
  Dep-P Fr= 1--      0.4145                 0.7498                 0.1157
  Dep-U Fr= 1--      0.5861                 0.8570                 0.2074
 Alpha2 Fr= 1--      0.9250                 0.0002                 4.7846
 Beta2  Fr= 1--     12.8572                11.2866                 9.8188
 AlphaG Fr= 1--      0.2770                -0.0030                 0.3722
 Gamma2 Fr= 1--      0.9770                 0.5174                 1.7005
 Delta2 Fr= 1--     -1.0559                -3.4229                 3.1264
 Raman1 Fr= 1--     526.504                316.068               1136.163
 ROA1   Fr= 1--      60.002                -59.868                263.295
 CID1   Fr= 1--       0.114                 -0.189                  0.232
 Raman2 Fr= 1--     154.286                135.439                117.825
 ROA2   Fr= 1--      31.894                 39.800                 15.801
 CID2   Fr= 1--       0.207                  0.294                  0.134
 Raman3 Fr= 1--     308.573                270.877                235.651
 ROA3   Fr= 1--      60.002                -59.868                263.295
 CID3   Fr= 1--       0.194                 -0.221                  1.117
 RC180  Fr= 1--       0.172                  0.714                 -0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.00     0.04   0.03  -0.00    -0.05  -0.04   0.00
     2   6     0.00  -0.00   0.00    -0.05   0.02  -0.01    -0.06   0.02  -0.01
     3   6     0.01  -0.07   0.01    -0.01   0.03  -0.01     0.01  -0.02   0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.01   0.03  -0.01    -0.00   0.02  -0.00    -0.00   0.02  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1    -0.23  -0.20   0.02    -0.48  -0.41   0.04     0.51   0.44  -0.05
    12   1    -0.03   0.01  -0.00     0.61  -0.21   0.08     0.64  -0.22   0.09
    13   1    -0.15   0.83  -0.16     0.06  -0.30   0.06    -0.04   0.18  -0.04
    14   1     0.07  -0.37   0.07     0.04  -0.25   0.05     0.03  -0.17   0.03
    15   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   911.056091791.251472470.69734
           X            0.99949  -0.03176   0.00283
           Y            0.03173   0.99945   0.00976
           Z           -0.00314  -0.00967   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09507     0.04835     0.03506
 Rotational constants (GHZ):           1.98093     1.00753     0.73046
 Zero-point vibrational energy     518297.9 (Joules/Mol)
                                  123.87617 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    132.38   171.56   289.98   334.16   365.31
          (Kelvin)            464.60   514.00   554.85   634.34   678.14
                              755.33   797.15   894.76  1016.37  1057.94
                             1070.62  1109.84  1214.26  1262.88  1279.81
                             1346.04  1354.97  1387.28  1406.40  1473.36
                             1493.24  1530.15  1566.55  1627.99  1646.28
                             1664.84  1706.90  1751.34  1768.14  1804.90
                             1850.87  1884.89  1917.15  1940.05  1956.17
                             1989.61  2018.75  2044.76  2139.14  2143.85
                             2149.27  2164.45  2168.14  2203.18  2339.16
                             2376.39  4235.62  4278.79  4340.26  4363.91
                             4425.20  4440.04  4454.82  4476.21  4537.48
                             4543.95  4571.55  4593.52
 
 Zero-point correction=                           0.197409 (Hartree/Particle)
 Thermal correction to Energy=                    0.206472
 Thermal correction to Enthalpy=                  0.207416
 Thermal correction to Gibbs Free Energy=         0.163476
 Sum of electronic and zero-point Energies=           -463.529675
 Sum of electronic and thermal Energies=              -463.520613
 Sum of electronic and thermal Enthalpies=            -463.519668
 Sum of electronic and thermal Free Energies=         -463.563609
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.563             36.629             92.480
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.779
 Vibrational            127.786             30.667             21.813
 Vibration     1          0.602              1.955              3.617
 Vibration     2          0.609              1.933              3.113
 Vibration     3          0.638              1.838              2.119
 Vibration     4          0.653              1.792              1.861
 Vibration     5          0.665              1.756              1.703
 Vibration     6          0.708              1.630              1.295
 Vibration     7          0.732              1.560              1.134
 Vibration     8          0.754              1.501              1.017
 Vibration     9          0.801              1.381              0.824
 Vibration    10          0.828              1.314              0.734
 Vibration    11          0.880              1.195              0.599
 Vibration    12          0.909              1.131              0.536
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.640235D-75        -75.193660       -173.139801
 Total V=0       0.405704D+16         15.608209         35.939230
 Vib (Bot)       0.125747D-88        -88.900504       -204.700975
 Vib (Bot)    1  0.223392D+01          0.349067          0.803757
 Vib (Bot)    2  0.171415D+01          0.234050          0.538920
 Vib (Bot)    3  0.988725D+00         -0.004924         -0.011339
 Vib (Bot)    4  0.847206D+00         -0.072011         -0.165811
 Vib (Bot)    5  0.767262D+00         -0.115056         -0.264927
 Vib (Bot)    6  0.581121D+00         -0.235733         -0.542796
 Vib (Bot)    7  0.514003D+00         -0.289035         -0.665527
 Vib (Bot)    8  0.466986D+00         -0.330696         -0.761456
 Vib (Bot)    9  0.391819D+00         -0.406914         -0.936954
 Vib (Bot)   10  0.357463D+00         -0.446769         -1.028723
 Vib (Bot)   11  0.306059D+00         -0.514194         -1.183976
 Vib (Bot)   12  0.282145D+00         -0.549528         -1.265334
 Vib (V=0)       0.796830D+02          1.901366          4.378057
 Vib (V=0)    1  0.278919D+01          0.445478          1.025751
 Vib (V=0)    2  0.228559D+01          0.358998          0.826623
 Vib (V=0)    3  0.160796D+01          0.206275          0.474967
 Vib (V=0)    4  0.148375D+01          0.171360          0.394571
 Vib (V=0)    5  0.141580D+01          0.151002          0.347695
 Vib (V=0)    6  0.126662D+01          0.102645          0.236350
 Vib (V=0)    7  0.121708D+01          0.085318          0.196452
 Vib (V=0)    8  0.118416D+01          0.073411          0.169034
 Vib (V=0)    9  0.113523D+01          0.055085          0.126839
 Vib (V=0)   10  0.111464D+01          0.047134          0.108530
 Vib (V=0)   11  0.108624D+01          0.035924          0.082718
 Vib (V=0)   12  0.107411D+01          0.031050          0.071495
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.718797D+06          5.856606         13.485334
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 3322                                                 111111111111111111111111111                                         
   11111000 0099                                                 6655544444333332222111100009999 888 7777   6 5 5 44 33 3 222   1    
   97551987 3174                                                 5230099820864318521854386327643 974 7430   2 5 2 74 85 2 530   19   
   37841666 3744                                                 2617440713308206497674294847426 084 1456   2 4 5 11 67 3 422   92   
 
   XXXXXXXX XXXX                                                 XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX X X XXXX   X X X XX XX X XXX   XX   
   XX XXXXX XXXX                                                   XX X XXX     XXX   XXXX XX  X     XX X               X            
   XX XXXXX XXXX                                                   X    XX       XX   X XX XX  X     XX X                            
   XX XXXXX XXXX                                                   X                  X    XX  X     XX                              
   XX XXXXX XXXX                                                   X                  X    X   X     XX                              
   XX   XXX XXXX                                                                      X              XX                              
        XXX XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        X   XXXX                                                                      X                                              
        X    XXX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
              XX                                                                      X                                              
              XX                                                                      X                                              
              X                                                                       X                                              
              X                                                                       X                                              
                                                                                      X                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000027    0.000005340    0.000001084
      2        6          -0.000006133   -0.000001630   -0.000002375
      3        6          -0.000000263    0.000000389   -0.000004202
      4        6           0.000009385   -0.000005473   -0.000005547
      5        6          -0.000005412   -0.000005575    0.000004900
      6        6           0.000002905    0.000002589    0.000003920
      7        6           0.000004272    0.000003956    0.000000704
      8        6          -0.000006133   -0.000005180   -0.000003942
      9        8           0.000003643    0.000016484    0.000017231
     10        6          -0.000005676   -0.000002001   -0.000018918
     11        1          -0.000000008   -0.000000250    0.000000693
     12        1           0.000000245    0.000000232    0.000001076
     13        1          -0.000003571    0.000000692    0.000005274
     14        1          -0.000001332    0.000000365   -0.000000670
     15        1           0.000001386   -0.000000610   -0.000001290
     16        6          -0.000001587   -0.000003767   -0.000001664
     17        1          -0.000001926    0.000000802   -0.000001056
     18        1           0.000000337    0.000000429    0.000002044
     19        1           0.000004594   -0.000002118    0.000004192
     20        1           0.000000562   -0.000004645   -0.000002538
     21        1           0.000002824   -0.000000752    0.000002106
     22        1          -0.000000115    0.000001729    0.000000254
     23        1           0.000002031   -0.000001006   -0.000001277
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018918 RMS     0.000004846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152086D+03 -0.233996D+01  0.267630D+01
      2  -0.233996D+01  0.133162D+03 -0.373533D+01
      3   0.267630D+01 -0.373533D+01  0.888130D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.209902D+01 -0.564001D+01 -0.117858D+02
      2   0.753233D+01 -0.122482D+02 -0.522890D+01
      3   0.515277D+01 -0.494244D+02  0.939758D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.142388D+03  0.154687D+02  0.366467D+01
      2  -0.732738D+02  0.480550D+01  0.103037D+02
      3  -0.691144D+02 -0.202742D+02 -0.139684D+02
      4   0.517568D+02  0.660090D+02 -0.284040D+02
      5   0.181969D+01 -0.298386D+02 -0.182089D+02
      6  -0.135408D+02  0.742856D+01  0.157730D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.204031D+01  0.185522D+01 -0.351032D+00  0.452882D+01 -0.101185D+01
      2   0.185522D+01  0.186640D+01 -0.564176D+00 -0.101185D+01  0.249905D+01
      3  -0.351032D+00 -0.564176D+00  0.218630D+01  0.945581D+00  0.975716D+00
                 6             7             8             9            10 
      1   0.945581D+00 -0.132945D+01  0.807233D+00  0.421540D+01  0.506685D+01
      2   0.975716D+00  0.807233D+00  0.716650D+00  0.290962D+01 -0.113798D+01
      3   0.177957D+01  0.421540D+01  0.290962D+01 -0.795372D+00 -0.425340D+00
                11            12            13            14            15 
      1  -0.113798D+01 -0.425340D+00 -0.227162D+01 -0.154550D+01  0.117266D+01
      2   0.256130D+01 -0.739683D-01 -0.154550D+01 -0.267309D+01 -0.769101D+00
      3  -0.739683D-01  0.250840D+01  0.117266D+01 -0.769101D+00 -0.777317D+00
                16            17            18            19            20 
      1  -0.206888D-02  0.126207D+01  0.510423D+01  0.146177D+00 -0.482535D+01
      2   0.126207D+01  0.155159D+00 -0.136680D+01 -0.482535D+01  0.815066D-02
      3   0.510423D+01 -0.136680D+01  0.135796D+01  0.307072D+00 -0.241071D+00
                21            22            23            24            25 
      1   0.307072D+00  0.456278D+01 -0.951030D+00 -0.148088D+00 -0.821027D+00
      2  -0.241071D+00 -0.951030D+00  0.182063D+01  0.988396D+00 -0.102643D+01
      3  -0.771336D+00 -0.148088D+00  0.988396D+00  0.163227D+01  0.531447D-01
                26            27            28            29            30 
      1  -0.102643D+01  0.531447D-01 -0.124826D+02  0.576256D+01 -0.352131D+00
      2   0.129662D+01  0.344838D+01  0.576256D+01 -0.587094D+01  0.278567D+00
      3   0.344838D+01 -0.203030D+01 -0.352131D+00  0.278567D+00 -0.166946D+01
                31            32            33            34            35 
      1   0.978382D+01  0.134709D+01 -0.663020D+00 -0.166943D+01 -0.918747D+00
      2   0.134709D+01  0.272299D+01 -0.313241D+00 -0.918747D+00 -0.159230D+00
      3  -0.663020D+00 -0.313241D+00  0.418387D+00 -0.307506D+01  0.174616D+01
                36            37            38            39            40 
      1  -0.307506D+01 -0.188059D+01 -0.466107D+01  0.550259D+00 -0.132581D+02
      2   0.174616D+01 -0.466107D+01 -0.660757D+01  0.314619D+00 -0.291281D+01
      3  -0.946371D+00  0.550259D+00  0.314619D+00 -0.123037D+01 -0.461994D+00
                41            42            43            44            45 
      1  -0.291281D+01 -0.461994D+00  0.269111D+01 -0.174743D+00 -0.196148D+01
      2  -0.604270D+01 -0.226211D+00 -0.174743D+00 -0.665545D+00 -0.280461D+01
      3  -0.226211D+00 -0.809699D+00 -0.196148D+01 -0.280461D+01  0.478581D+00
                46            47            48            49            50 
      1  -0.290196D+01  0.374400D+01 -0.300012D+00 -0.403978D+01  0.530814D+00
      2   0.374400D+01  0.243026D+01  0.355423D+00  0.530814D+00 -0.108123D+01
      3  -0.300012D+00  0.355423D+00 -0.438322D+00 -0.215370D-02 -0.884458D+00
                51            52            53            54            55 
      1  -0.215370D-02  0.532886D+00  0.502608D+00  0.133630D+01  0.221645D+01
      2  -0.884458D+00  0.502608D+00 -0.137554D+01 -0.335359D+01 -0.987015D+00
      3  -0.187208D+01  0.133630D+01 -0.335359D+01  0.196612D+01 -0.248347D+00
                56            57            58            59            60 
      1  -0.987015D+00 -0.248347D+00 -0.295973D+01  0.440782D+01  0.121026D+01
      2   0.304456D+01  0.157180D+01  0.440782D+01 -0.188678D+01  0.210306D+01
      3   0.157180D+01  0.192654D+01  0.121026D+01  0.210306D+01 -0.385805D+01
                61            62            63            64            65 
      1  -0.196899D+01  0.185089D+01  0.328132D+01  0.682644D+01 -0.245169D+01
      2   0.185089D+01  0.911616D+00 -0.485633D+01 -0.245169D+01 -0.166679D+01
      3   0.328132D+01 -0.485633D+01  0.170942D+01  0.286111D-01 -0.976855D+00
                66            67            68            69            70 
      1   0.286111D-01 -0.387820D+01 -0.608874D+00 -0.106531D+01 -0.285902D+00
      2  -0.976855D+00 -0.608874D+00  0.321054D+00 -0.131123D+01 -0.442418D+00
      3  -0.223733D+01 -0.106531D+01 -0.131123D+01  0.149130D+01  0.250982D+00
                71            72            73            74            75 
      1  -0.442418D+00  0.250982D+00 -0.574975D+01 -0.865322D+00  0.104757D+01
      2  -0.904780D+00  0.357196D+01 -0.865322D+00  0.139473D+01  0.103743D+01
      3   0.357196D+01  0.699869D+01  0.104757D+01  0.103743D+01  0.287029D+00
                76            77            78            79            80 
      1   0.498310D+00 -0.184125D+01  0.682896D+00  0.119000D+01  0.467337D-01
      2  -0.184125D+01 -0.313149D+01  0.102449D+01  0.467337D-01  0.125057D+01
      3   0.682896D+00  0.102449D+01  0.231354D+00 -0.139109D+01 -0.202882D+01
                81            82            83            84            85 
      1  -0.139109D+01  0.280803D+01  0.475837D+00 -0.207030D-02  0.219199D+01
      2  -0.202882D+01  0.475837D+00 -0.947766D+00 -0.365300D+00  0.420668D+01
      3  -0.215315D+00 -0.207030D-02 -0.365300D+00 -0.642208D+00  0.435566D+00
                86            87            88            89            90 
      1   0.420668D+01  0.435566D+00  0.672812D+00  0.980920D+00  0.119372D+01
      2   0.924669D+01  0.856991D+00  0.980920D+00  0.249898D+01  0.665609D+01
      3   0.856991D+00  0.383782D+01  0.119372D+01  0.665609D+01  0.111020D+01
                91            92            93            94            95 
      1   0.794441D+01  0.441655D+01 -0.376068D+00  0.456168D+01  0.415899D+01
      2   0.441655D+01  0.320596D+01 -0.210634D+00  0.415899D+01  0.446523D+01
      3  -0.376068D+00 -0.210634D+00  0.773727D+00 -0.558266D+00 -0.451190D+00
                96            97            98            99           100 
      1  -0.558266D+00 -0.336216D+00 -0.431834D+00  0.215837D-01  0.123186D+02
      2  -0.451190D+00 -0.431834D+00 -0.685438D+00  0.497561D-01 -0.293091D+01
      3   0.690742D+00  0.215837D-01  0.497561D-01 -0.127093D+00  0.124479D+01
               101           102           103           104           105 
      1  -0.293091D+01  0.124479D+01 -0.301595D+01  0.234056D+01 -0.610477D+00
      2   0.151046D+01 -0.301748D+00  0.234056D+01 -0.140305D+01  0.312912D+00
      3  -0.301748D+00  0.107503D+01 -0.610477D+00  0.312912D+00 -0.409791D+00
               106           107           108           109           110 
      1   0.154273D+01 -0.604222D+00  0.143873D+00 -0.515226D+00  0.128190D+01
      2  -0.604222D+00  0.430894D+00 -0.911668D-01  0.128190D+01 -0.995692D+00
      3   0.143873D+00 -0.911668D-01  0.204874D+00 -0.210075D+00  0.293510D+00
               111           112           113           114           115 
      1  -0.210075D+00  0.123517D+01 -0.489301D+00  0.264838D-01 -0.233363D+00
      2   0.293510D+00 -0.489301D+00  0.962143D+01 -0.171448D+01  0.267388D+00
      3  -0.122684D+00  0.264838D-01 -0.171448D+01  0.126431D+01  0.539772D-01
               116           117           118           119           120 
      1   0.267388D+00  0.539772D-01  0.109478D+01 -0.166597D+01  0.355478D+00
      2  -0.194545D+01  0.475699D+00 -0.166597D+01  0.172714D+01 -0.330498D+00
      3   0.475699D+00 -0.290362D+00  0.355478D+00 -0.330498D+00  0.365151D+00
               121           122           123           124           125 
      1  -0.181640D+01  0.247259D+01 -0.468842D+00  0.255331D+00 -0.509006D+00
      2   0.247259D+01 -0.999517D+01  0.170037D+01 -0.509006D+00  0.191841D+01
      3  -0.468842D+00  0.170037D+01 -0.126121D+01  0.216427D+00 -0.501126D+00
               126           127           128           129           130 
      1   0.216427D+00 -0.233196D+00  0.884323D+00 -0.108316D+01  0.242973D+01
      2  -0.501126D+00  0.884323D+00 -0.561182D+00  0.853813D-01 -0.196065D+01
      3   0.267665D+00 -0.108316D+01  0.853813D-01 -0.694106D+00  0.475108D+00
               131           132           133           134           135 
      1  -0.196065D+01  0.475108D+00 -0.188646D+01  0.867642D+00 -0.159531D+01
      2   0.445414D+01 -0.241919D+01  0.867642D+00 -0.298917D+01  0.326761D+01
      3  -0.241919D+01  0.285574D+01 -0.159531D+01  0.326761D+01 -0.519644D+01
               136           137           138           139           140 
      1   0.590265D+01 -0.496489D+01  0.125385D+00 -0.253834D+01 -0.191425D+01
      2  -0.496489D+01 -0.902877D+00 -0.214398D+01 -0.191425D+01 -0.107083D+01
      3   0.125385D+00 -0.214398D+01 -0.125573D+01 -0.218897D+01 -0.129451D+01
               141           142           143           144           145 
      1  -0.218897D+01  0.418149D+01 -0.367603D+01 -0.194788D+01 -0.531072D+00
      2  -0.129451D+01 -0.367603D+01  0.390505D+00  0.347104D+01 -0.924677D-01
      3   0.322553D+01 -0.194788D+01  0.347104D+01 -0.119665D+01 -0.938272D+00
               146           147           148           149           150 
      1  -0.924677D-01 -0.938272D+00 -0.173672D+00 -0.192645D+00 -0.381713D+00
      2   0.591309D+00  0.325935D+00 -0.192645D+00 -0.149932D+01 -0.168701D+01
      3   0.325935D+00  0.131484D+01 -0.381713D+00 -0.168701D+01 -0.246714D+01
               151           152           153           154           155 
      1  -0.160507D+01 -0.279856D+00 -0.179026D+01 -0.119823D+02  0.143124D+01
      2  -0.279856D+00 -0.177061D+01 -0.193078D+01  0.143124D+01 -0.131629D+01
      3  -0.179026D+01 -0.193078D+01 -0.908389D+01 -0.115390D+01  0.993091D-01
               156           157           158           159           160 
      1  -0.115390D+01  0.252139D+01 -0.149374D+01  0.405767D+00  0.363426D+00
      2   0.993091D-01 -0.149374D+01  0.913012D+00 -0.580674D-02  0.718029D-01
      3  -0.119703D+01  0.405767D+00 -0.580674D-02  0.924275D-01 -0.128108D+01
               161           162           163           164           165 
      1   0.718029D-01 -0.128108D+01 -0.602680D+00 -0.100879D+01 -0.930726D+00
      2   0.240999D+00 -0.394394D-01 -0.100879D+01  0.293928D+00 -0.115007D+00
      3  -0.394394D-01 -0.599026D+00 -0.930726D+00 -0.115007D+00 -0.380944D+00
               166           167           168           169           170 
      1  -0.162996D+01 -0.169658D+01 -0.427664D+00 -0.269757D+01 -0.123796D+01
      2  -0.169658D+01 -0.763161D+01 -0.286509D+01 -0.123796D+01 -0.598571D+01
      3  -0.427664D+00 -0.286509D+01 -0.218206D+01 -0.861306D+00 -0.460726D+01
               171           172           173           174           175 
      1  -0.861306D+00  0.430469D-01 -0.447816D+00  0.819127D+00 -0.135171D+01
      2  -0.460726D+01 -0.447816D+00  0.724379D+00 -0.315628D+00 -0.141533D+01
      3  -0.430782D+01  0.819127D+00 -0.315628D+00  0.163525D+00  0.248472D+00
               176           177           178           179           180 
      1  -0.141533D+01  0.248472D+00  0.169756D+01  0.757703D+00 -0.637927D+00
      2  -0.637532D+01  0.268657D+01  0.757703D+00  0.441727D+01 -0.405381D+01
      3   0.268657D+01 -0.246319D+01 -0.637927D+00 -0.405381D+01  0.393164D+01
               181           182           183           184           185 
      1  -0.813927D+00  0.303604D-01  0.728283D+00 -0.103653D+01  0.204708D+00
      2   0.303604D-01  0.619299D-01  0.306697D+00  0.204708D+00 -0.170401D+01
      3   0.728283D+00  0.306697D+00 -0.579932D-01  0.911994D+00  0.920406D+00
               186           187           188           189           190 
      1   0.911994D+00  0.120423D+01  0.317868D+00 -0.101795D+01 -0.102475D+02
      2   0.920406D+00  0.317868D+00  0.158683D+01 -0.116243D+01  0.469401D+01
      3  -0.313158D+01 -0.101795D+01 -0.116243D+01  0.550158D+01  0.778271D+00
               191           192           193           194           195 
      1   0.469401D+01  0.778271D+00  0.370594D+01 -0.263573D+01 -0.721753D-01
      2  -0.329387D+01 -0.447019D+00 -0.263573D+01  0.288790D+01  0.412025D+00
      3  -0.447019D+00 -0.138183D+01 -0.721753D-01  0.412025D+00  0.350871D+00
               196           197           198           199           200 
      1  -0.162293D+01  0.921084D+00 -0.843195D+00  0.153313D+01  0.146327D+01
      2   0.921084D+00 -0.763839D+00  0.193892D+00  0.146327D+01  0.274247D+01
      3  -0.843195D+00  0.193892D+00 -0.140318D+00  0.386283D+00  0.141721D+01
               201           202           203           204           205 
      1   0.386283D+00  0.195035D+01  0.100028D+01  0.533872D+00  0.126900D+00
      2   0.141721D+01  0.100028D+01  0.554249D+01  0.196057D+01  0.647314D+00
      3   0.147880D+01  0.533872D+00  0.196057D+01  0.136180D+01  0.531583D+00
               206           207 
      1   0.647314D+00  0.531583D+00
      2   0.143081D+01  0.100596D+01
      3   0.100596D+01  0.140225D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.743278D+00 -0.971521D+00 -0.370938D+01 -0.174128D+01  0.103535D+01
      2  -0.137780D+01 -0.586147D+00  0.527732D+01  0.257372D+01  0.241020D+01
      3  -0.415486D+01 -0.125616D+02  0.143356D+01  0.722571D+01 -0.102935D+01
                 6             7             8             9            10 
      1  -0.158033D+00 -0.809431D+01  0.595544D+01 -0.188605D+01 -0.562566D+00
      2   0.609813D+01  0.195550D+01  0.110670D+02 -0.278097D+01  0.573847D+00
      3  -0.217545D+01 -0.194994D+01 -0.330104D+01 -0.434488D+01  0.361876D+01
                11            12            13            14            15 
      1  -0.217360D+00  0.200803D+01 -0.198468D+00  0.202413D+01  0.169658D+01
      2  -0.371496D-01  0.772174D+01  0.376896D+01 -0.116025D+01 -0.312988D+01
      3  -0.107972D+02  0.483602D+00  0.109472D+02  0.288379D+00  0.272663D+01
                16            17            18            19            20 
      1   0.520344D+01  0.106384D+02 -0.185106D+01  0.452691D+00  0.125649D+01
      2   0.846191D+01 -0.630716D+01  0.369347D+01  0.292775D+01 -0.344898D+01
      3  -0.267098D+01  0.205598D+01  0.197919D+01  0.501781D+01 -0.580241D+01
                21            22            23            24            25 
      1   0.283244D+01  0.478964D-01 -0.441561D+00 -0.304685D+01  0.247417D+01
      2  -0.181893D+01 -0.190569D+01 -0.294521D+00  0.331010D+01 -0.141409D+02
      3   0.249914D+01  0.411552D+01 -0.865980D+01 -0.401176D+00  0.313075D+01
                26            27            28            29            30 
      1   0.681025D+00  0.118548D+01 -0.582957D+00 -0.822123D+00  0.148489D+01
      2   0.502577D+01 -0.357184D+01 -0.132727D+01  0.256815D+01 -0.261487D+01
      3  -0.191242D+01 -0.738693D+01 -0.141750D+01  0.119556D+02 -0.111587D+01
                31            32            33            34            35 
      1  -0.875493D+00  0.210761D+01 -0.500994D+00  0.244612D+01  0.942339D+01
      2   0.239562D+01 -0.854462D+00  0.287537D+00 -0.151793D+02  0.152541D+01
      3   0.130576D+02 -0.117210D+02 -0.197964D+01  0.122489D+01  0.289708D+01
                36            37            38            39            40 
      1  -0.734038D+00  0.138929D+01 -0.488892D+00 -0.638968D+00 -0.147345D+01
      2  -0.100253D+01  0.108199D+01  0.695065D+00 -0.190267D+01 -0.281285D+01
      3  -0.216892D+01 -0.655787D+01  0.755386D+01 -0.286006D+01  0.121966D+02
                41            42            43            44            45 
      1  -0.114583D+00 -0.607695D+00 -0.330202D+01  0.776162D+01 -0.824031D+00
      2   0.339206D+01 -0.833379D+00 -0.143964D+02 -0.676349D+00 -0.846787D+00
      3   0.185822D+02  0.976748D+00  0.343104D+00 -0.241864D+01  0.357762D+01
                46            47            48            49            50 
      1   0.104557D+00  0.547178D+00 -0.160220D+01  0.135360D+01 -0.539249D+00
      2  -0.748939D+00 -0.176525D+01 -0.101478D+01 -0.238188D+01 -0.200496D+01
      3  -0.717496D+00 -0.123677D+02  0.173252D+01 -0.444897D+00  0.549440D+01
                51            52            53            54            55 
      1  -0.279622D+01  0.161582D+01  0.132860D+01  0.553326D+00  0.626230D+00
      2  -0.500748D+01 -0.104198D+02 -0.895823D+01  0.334751D+01 -0.524513D+00
      3   0.978965D+00  0.147761D+01  0.105280D+01  0.705193D+01  0.350941D+01
                56            57            58            59            60 
      1  -0.308701D+01 -0.289712D+01 -0.137130D+01 -0.416839D+01  0.110992D+01
      2  -0.121730D+01  0.107453D+01 -0.351991D+01  0.183340D+00  0.614670D+01
      3  -0.183637D+01  0.187900D+01  0.118338D+02  0.637986D+01  0.678547D+01
                61            62            63            64            65 
      1  -0.678972D+01  0.905943D+01 -0.516650D+00  0.292735D+01  0.172150D+01
      2  -0.107305D+02  0.936743D+01 -0.517505D+00  0.861906D+01 -0.215670D+01
      3   0.315672D-01  0.680855D+01 -0.507640D+01 -0.109229D+02 -0.741788D+01
                66            67            68            69            70 
      1   0.150379D+01 -0.920990D+00  0.296381D+01  0.202995D+01  0.232299D+01
      2   0.667303D+01 -0.232917D+01  0.161853D+01 -0.615216D+01 -0.243136D+01
      3  -0.316810D+01 -0.529186D+01  0.274623D+01 -0.474474D+01  0.504776D+00
                71            72            73            74            75 
      1   0.115051D+01 -0.205296D+01  0.444669D+00  0.110341D+01  0.720137D+00
      2  -0.106153D+02 -0.177952D+02  0.165197D+01 -0.955821D+00  0.664153D+01
      3  -0.274047D+01  0.751994D+01  0.129811D+02 -0.604996D+01  0.110709D+01
                76            77            78            79            80 
      1  -0.714130D+00  0.181250D+01 -0.807020D+01 -0.467149D+01  0.231843D+01
      2  -0.252625D+00 -0.394080D+01 -0.680163D+00 -0.350417D+01  0.534639D+01
      3   0.417036D+01 -0.557644D+01  0.482013D+01 -0.191177D+01  0.768861D+01
                81            82            83            84            85 
      1   0.389828D+01  0.620684D-01  0.480530D+00 -0.408151D+01  0.131894D+01
      2  -0.629740D+00 -0.281079D+01  0.457152D+00 -0.239894D+01  0.770513D+00
      3  -0.206990D+01 -0.481396D+01 -0.714436D+00 -0.105433D+01  0.715739D+01
                86            87            88            89            90 
      1   0.207088D+01  0.977484D+01  0.639687D+01  0.224062D+02  0.206873D+01
      2  -0.117798D+00 -0.110653D+00 -0.538772D+01 -0.454642D+01 -0.307138D+00
      3  -0.660323D+01 -0.738884D+00 -0.371610D+01 -0.274387D+01  0.353552D+01
                91            92            93            94            95 
      1  -0.195469D+00 -0.429540D+00 -0.247305D+01  0.306305D+00 -0.114766D+00
      2   0.419936D+00  0.277064D+00  0.438134D+01 -0.939525D+00 -0.733487D+00
      3  -0.267324D+01 -0.649103D+01  0.583636D-01 -0.501160D+01 -0.933462D+01
                96            97            98            99           100 
      1  -0.251767D+01  0.124666D+01  0.117917D+01  0.208370D+00  0.212484D+00
      2   0.352268D+01 -0.185329D+01 -0.985680D+00 -0.295652D+00  0.188116D+01
      3   0.646583D+00  0.890637D+00  0.128992D+01  0.183739D-01  0.264207D+01
               101           102           103           104           105 
      1   0.415290D+00  0.153015D+01 -0.945690D-01 -0.140597D+00 -0.897227D+00
      2  -0.445335D+00  0.646210D+01 -0.169367D+01  0.794804D+00 -0.225295D+01
      3  -0.623829D+01  0.282029D+00 -0.478629D+01  0.386292D+01 -0.663722D+00
               106           107           108           109           110 
      1  -0.800758D+00  0.607242D+00  0.187927D+00 -0.351028D+00  0.153156D+00
      2  -0.250237D+01  0.593644D+00  0.685588D+00 -0.726733D+00  0.599761D+00
      3   0.971576D+00 -0.120340D+01  0.161409D+00 -0.460657D+01  0.346201D+01
               111           112           113           114           115 
      1   0.760850D+00  0.434852D+00 -0.981302D+00 -0.491252D+01 -0.214283D+00
      2  -0.101734D+00  0.103935D+01 -0.246449D+01  0.117319D+01 -0.153281D+01
      3  -0.530805D+00  0.661501D+01 -0.152774D+02  0.270881D+01 -0.131489D+01
               116           117           118           119           120 
      1   0.219803D+01  0.595820D+00  0.108514D-01 -0.154007D+00  0.108939D+01
      2   0.452410D+00 -0.542440D-01  0.460988D+00 -0.296570D+00  0.886473D+00
      3   0.323962D+01 -0.290504D+00  0.182336D+01 -0.110492D+01  0.218330D+00
               121           122           123           124           125 
      1  -0.297843D+00 -0.311300D+00 -0.493995D+01 -0.762034D-01  0.190935D+01
      2  -0.593192D-01  0.319058D+01 -0.295052D+01 -0.130156D+01 -0.114471D+00
      3   0.170615D+01  0.168857D+02 -0.280862D+01 -0.243135D+00 -0.335169D+01
               126           127           128           129           130 
      1   0.700430D+00  0.911349D+00  0.443668D+00  0.987440D+00 -0.178244D+00
      2   0.381889D+00  0.156253D+01 -0.331871D-01  0.127953D+01  0.106706D+01
      3   0.107073D+00  0.235791D+01 -0.230088D+01 -0.123346D+01  0.211063D+01
               131           132           133           134           135 
      1  -0.218589D+00 -0.411973D+01  0.221054D+01  0.137132D+00  0.491751D+01
      2   0.245901D+01 -0.414391D+01 -0.959304D+00 -0.425548D+01  0.661538D+01
      3   0.527921D+01 -0.383994D+01 -0.227507D+01 -0.536979D+01  0.445241D+01
               136           137           138           139           140 
      1  -0.641956D+01  0.245381D+01  0.443349D+00  0.509587D+01 -0.259584D+00
      2  -0.696403D+01  0.110838D+02  0.563552D+01  0.101479D+02  0.313582D+01
      3   0.158439D+01 -0.166017D+02 -0.453662D+01 -0.976801D+01 -0.750216D+01
               141           142           143           144           145 
      1  -0.127568D+02  0.523985D+00 -0.776848D+01  0.582182D+01  0.277650D-01
      2  -0.420605D+01  0.239312D+01 -0.495665D+01  0.365943D+01  0.247428D+01
      3  -0.860469D+01 -0.225826D+01 -0.947063D+01  0.426528D+01  0.743579D+00
               146           147           148           149           150 
      1  -0.187392D+01  0.261508D+00 -0.284185D+00  0.271335D+01 -0.470606D-01
      2  -0.359626D+00 -0.316226D+01 -0.768285D+00  0.365680D+01  0.510036D+01
      3   0.197846D+01  0.515771D+00  0.286804D+01 -0.384869D+01 -0.342316D+01
               151           152           153           154           155 
      1   0.467041D-01  0.552440D+01  0.642670D+00 -0.113228D+01  0.153927D+01
      2  -0.141634D+01  0.439057D+01  0.202256D+02 -0.765718D+01  0.930179D+00
      3   0.611078D+00 -0.516507D+01 -0.288335D+01  0.460400D+01 -0.767266D+01
               156           157           158           159           160 
      1   0.260720D+00  0.121236D+01 -0.119271D+01 -0.935732D+00 -0.390347D+00
      2   0.541155D+01  0.129473D+01 -0.107367D+01 -0.542141D+00  0.237695D+01
      3   0.415792D+00 -0.267499D+01  0.367370D+01  0.548535D+00  0.713445D+00
               161           162           163           164           165 
      1   0.504092D+00  0.487184D+00 -0.269032D+01  0.860238D-01 -0.669589D+00
      2   0.385546D+00  0.384620D+00 -0.539527D+00 -0.330294D+00  0.167635D+01
      3   0.146177D+01 -0.158659D+00  0.203621D+01  0.123538D+01  0.288814D+01
               166           167           168           169           170 
      1  -0.160101D+01 -0.560614D+01 -0.768019D+01 -0.264923D+01 -0.927501D+01
      2  -0.177529D+00  0.901009D+00  0.108758D+01 -0.687422D+00  0.209160D+01
      3   0.373640D+01 -0.276105D+01 -0.138357D+01  0.804348D+01 -0.106130D+01
               171           172           173           174           175 
      1  -0.112460D+02  0.179153D+01 -0.211214D+00  0.562412D+00  0.105114D+01
      2   0.163301D+01 -0.345082D-01  0.286672D+00  0.503961D+00  0.606036D+00
      3  -0.226105D+01 -0.774397D+00 -0.152432D+01 -0.213936D+01  0.301774D+01
               176           177           178           179           180 
      1   0.474960D+01 -0.715383D+01 -0.194757D+01 -0.753133D+01  0.971238D+01
      2  -0.230126D+01  0.181237D+01 -0.154429D+01  0.257487D+01 -0.281795D+01
      3  -0.220722D+01  0.243341D+01 -0.485772D+01  0.302202D+01 -0.306867D+01
               181           182           183           184           185 
      1  -0.128115D+01 -0.283495D+00  0.751880D+00 -0.120862D+01 -0.698169D+01
      2  -0.567236D+00 -0.519373D+00  0.990910D-01  0.265753D+00 -0.208865D+01
      3  -0.114635D+01 -0.359784D+00  0.162495D+01 -0.227266D+00 -0.450384D+01
               186           187           188           189           190 
      1   0.624578D+01  0.205924D+01  0.698919D+01 -0.119476D+02  0.203136D+01
      2   0.573608D+01 -0.193460D+01  0.255252D+01 -0.973618D+01  0.712300D+01
      3   0.336038D+01  0.258943D+01  0.439448D+01 -0.465080D+01 -0.121365D+02
               191           192           193           194           195 
      1  -0.220581D+01  0.383205D+01 -0.178408D+01  0.159903D+01 -0.134214D+01
      2  -0.274730D+01  0.561171D+01 -0.312810D+01  0.897313D+00 -0.170508D+01
      3  -0.822848D+00  0.254026D+00  0.382623D+01  0.174402D+01  0.840397D+00
               196           197           198           199           200 
      1   0.179051D+01  0.429330D+00  0.425737D+00  0.147986D+01  0.544562D+00
      2   0.101159D+01 -0.326333D+00  0.113377D+01 -0.415959D+01 -0.386651D+01
      3  -0.910020D+00  0.337748D+00 -0.170225D+01  0.101748D+02  0.789694D+01
               201           202           203           204           205 
      1  -0.295722D+01  0.584314D+00  0.186192D+01 -0.278008D+01 -0.572924D+00
      2  -0.191570D+01 -0.396109D+01 -0.560511D+01 -0.256037D+01 -0.232045D+01
      3   0.311223D+01  0.966384D+01  0.129184D+02  0.527549D+01  0.157554D+01
               206           207 
      1   0.955479D+00 -0.221318D+01
      2  -0.246137D+01 -0.274248D+01
      3   0.448973D+01  0.339357D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.387862D+00 -0.180784D+02  0.282458D+01  0.295956D+02 -0.854932D+00
      2  -0.353053D+01  0.121793D+02  0.158260D+01 -0.286143D+02 -0.302492D+01
      3   0.391840D+01  0.589917D+01 -0.440718D+01 -0.981283D+00  0.387985D+01
      4  -0.179854D+02  0.147688D+02 -0.399834D+01 -0.230218D+01 -0.174152D+02
      5  -0.207056D+01 -0.239063D+01  0.113759D+02  0.722334D+01  0.665761D+01
      6  -0.240305D+01 -0.153542D+01  0.849398D+01  0.681450D+01  0.269196D+01
                 6             7             8             9            10 
      1   0.159863D+01 -0.820499D+01 -0.138839D+01  0.103414D+02 -0.570087D+01
      2  -0.302919D+01  0.965509D+01  0.406008D+01 -0.141019D+02  0.245189D+01
      3   0.143056D+01 -0.145010D+01 -0.267168D+01  0.376049D+01  0.324898D+01
      4   0.967446D+01  0.320279D+01  0.925155D+01  0.147164D+02  0.989924D+01
      5   0.132345D+02  0.297932D+02  0.161605D+02 -0.665887D+01 -0.632887D+01
      6   0.131287D+01  0.901332D+01  0.108362D+02  0.220665D+01 -0.308471D+00
                11            12            13            14            15 
      1   0.690311D+01 -0.634395D+01 -0.202548D+02 -0.195764D+02  0.615077D+01
      2  -0.349432D+01  0.201196D+01  0.187425D+02  0.191527D+02 -0.749734D+01
      3  -0.340879D+01  0.433200D+01  0.151222D+01  0.423687D+00  0.134657D+01
      4   0.228494D+02  0.437875D+00 -0.190644D+02  0.146118D+02 -0.773751D+01
      5   0.142599D+01  0.166836D+02  0.107463D+02 -0.415243D+01 -0.726836D+01
      6  -0.150786D+00 -0.455028D+01 -0.546098D+01 -0.225456D+01 -0.352328D+01
                16            17            18            19            20 
      1  -0.347762D+01  0.729597D+01  0.166031D+02  0.103468D+02 -0.154600D+01
      2  -0.196597D+01 -0.478480D+01 -0.198885D+02 -0.677777D+01 -0.147317D+01
      3   0.544360D+01 -0.251118D+01  0.328547D+01 -0.356902D+01  0.301917D+01
      4   0.119143D+02 -0.480877D+01 -0.567265D+01  0.598605D+01 -0.244015D+02
      5   0.369748D+02 -0.840851D+01  0.734103D+01  0.337962D+01  0.181062D+01
      6  -0.389656D+01  0.603110D+01  0.259723D+01  0.209827D+01 -0.129192D+01
                21            22            23            24            25 
      1   0.135328D+01  0.731985D+01  0.104950D+02 -0.519977D+01  0.102101D+01
      2  -0.226863D+01 -0.776153D+00 -0.166256D+02  0.735543D+01 -0.161131D+01
      3   0.915348D+00 -0.654369D+01  0.613066D+01 -0.215566D+01  0.590300D+00
      4   0.334859D+01  0.178925D+02  0.947714D+01  0.696286D+00 -0.159667D+01
      5  -0.547585D+01 -0.151199D+01  0.266875D+00  0.492793D+01  0.303606D+01
      6  -0.515518D+01 -0.179322D+01  0.106047D+02  0.520649D+01  0.102171D+01
                26            27            28            29            30 
      1  -0.441674D+01 -0.135782D+02 -0.334160D+02  0.132237D+02 -0.201039D+01
      2   0.978086D+01  0.138629D+00  0.196543D+02 -0.638602D+01 -0.295198D+00
      3  -0.536412D+01  0.134396D+02  0.137617D+02 -0.683768D+01  0.230559D+01
      4  -0.243517D+01  0.115500D+02 -0.115905D+02  0.917587D+01 -0.494973D+00
      5   0.108717D+02 -0.765273D+01 -0.265162D+01  0.989730D+00 -0.335365D+01
      6   0.137964D+02 -0.477717D+01  0.240649D+01  0.242724D+00 -0.177815D+01
                31            32            33            34            35 
      1   0.163909D+02 -0.160620D+01  0.105619D+01 -0.731407D+01  0.243042D+01
      2  -0.749657D+01  0.494210D+01 -0.305997D+01 -0.674029D+00 -0.102680D+01
      3  -0.889430D+01 -0.333590D+01  0.200377D+01  0.798810D+01 -0.140362D+01
      4  -0.227928D+01  0.558020D+01 -0.962650D+00  0.424921D+01 -0.242848D+01
      5   0.228331D+01 -0.521306D+00 -0.216641D+00  0.159323D+01  0.142040D+00
      6  -0.601873D+01 -0.258234D+01  0.253049D+01 -0.115447D+01  0.778550D+01
                36            37            38            39            40 
      1  -0.114865D+02 -0.172058D+02 -0.270689D+02  0.262737D+01 -0.203001D+02
      2   0.259581D+00  0.151434D+02  0.195355D+02  0.719758D+00  0.926679D+01
      3   0.112269D+02  0.206235D+01  0.753344D+01 -0.334713D+01  0.110333D+02
      4  -0.267163D+01 -0.407929D+01  0.122785D+01 -0.933209D+00  0.848370D-01
      5  -0.108203D+01  0.244183D+01  0.125679D+01 -0.172319D+01  0.500322D+00
      6   0.505076D+00 -0.250497D+01 -0.262206D+00  0.525967D+00  0.774018D+01
                41            42            43            44            45 
      1  -0.126997D+02 -0.652966D-01  0.173217D+01 -0.221255D+01 -0.149309D+02
      2   0.134806D+02 -0.743388D+00  0.223358D+01  0.223426D+01  0.428587D+01
      3  -0.780885D+00  0.808685D+00 -0.396574D+01 -0.217146D-01  0.106450D+02
      4  -0.593051D+01  0.262730D+01  0.894096D+00  0.201732D+01 -0.178292D+01
      5   0.297638D+01 -0.675536D+00  0.194004D+01 -0.272851D+01 -0.189217D+00
      6  -0.220030D+00  0.116234D+01 -0.778462D+00  0.111331D+02  0.177176D+01
                46            47            48            49            50 
      1   0.117467D+02  0.170371D+02  0.683477D-01 -0.202205D+02  0.143928D+02
      2  -0.117395D+02 -0.116158D+02  0.746770D+00  0.169067D+02 -0.212604D+02
      3  -0.722724D-02 -0.542130D+01 -0.815118D+00  0.331374D+01  0.686760D+01
      4   0.599075D+01 -0.187630D+02  0.412058D+01  0.125099D+02 -0.182083D+01
      5  -0.286986D+01  0.190657D+01 -0.438716D+01 -0.605992D+00 -0.432897D+01
      6   0.428767D+01 -0.116945D+01  0.238025D+01 -0.255147D+01  0.103144D+02
                51            52            53            54            55 
      1  -0.426260D+01  0.363913D+01 -0.212713D+01 -0.677775D+01  0.228678D+02
      2   0.692535D+01 -0.458392D+01  0.897370D+01 -0.398969D+01 -0.114440D+02
      3  -0.266275D+01  0.944788D+00 -0.684657D+01  0.107674D+02 -0.114238D+02
      4  -0.410241D+01  0.115053D+01 -0.768770D+01 -0.147119D+02 -0.298000D+01
      5  -0.935002D+01  0.827861D+01 -0.152592D+02  0.640507D+01  0.178627D+01
      6   0.557183D+01 -0.488696D+01  0.130152D+02 -0.285751D+01 -0.316518D+01
                56            57            58            59            60 
      1  -0.140222D+02 -0.370129D+01 -0.189043D+02  0.486272D+01 -0.868240D+01
      2   0.106037D+02  0.432309D+01  0.119717D+02  0.123140D+01  0.683971D+01
      3   0.341846D+01 -0.621803D+00  0.693255D+01 -0.609411D+01  0.184269D+01
      4  -0.642574D+01 -0.368933D+01 -0.132441D+02  0.806797D+01 -0.577918D+01
      5  -0.556755D+01 -0.587611D+01 -0.755185D+01 -0.706535D+01  0.129945D+02
      6   0.375206D+01  0.408445D+01  0.312784D+00  0.816354D+01 -0.159798D+02
                61            62            63            64            65 
      1  -0.638487D+00 -0.754651D+01  0.109729D+02 -0.479610D+02  0.140871D+02
      2   0.460335D+01  0.545011D+00 -0.981499D+01  0.245931D+02 -0.941229D+01
      3  -0.396486D+01  0.700149D+01 -0.115794D+01  0.233680D+02 -0.467484D+01
      4  -0.111768D+02  0.178190D+01  0.192791D+02  0.156843D+02  0.329822D+01
      5  -0.147106D+02  0.183511D+02 -0.336273D+01 -0.747686D+01  0.596546D+01
      6   0.155926D+02 -0.221290D+02  0.109219D+02  0.256336D+01  0.156569D+01
                66            67            68            69            70 
      1  -0.547297D+01  0.193992D+02  0.723883D+01  0.893300D+01  0.134747D+01
      2  -0.184487D+01 -0.118844D+02 -0.108110D+02 -0.442070D+00  0.217459D+01
      3   0.731784D+01 -0.751480D+01  0.357218D+01 -0.849093D+01 -0.352205D+01
      4   0.402127D+01 -0.290705D+01 -0.132938D+00  0.629300D+01  0.632595D+01
      5   0.724791D+01  0.103027D+02  0.741479D+01 -0.415876D+01 -0.298905D+01
      6   0.774373D+00  0.245131D+01 -0.103445D+01 -0.470557D+01 -0.301077D+01
                71            72            73            74            75 
      1   0.372428D+01  0.149282D+02  0.305048D+02  0.108209D+02  0.117620D+01
      2   0.897710D+01  0.163416D+02 -0.164286D+02 -0.789499D+01 -0.178149D+01
      3  -0.127014D+02 -0.312698D+02 -0.140761D+02 -0.292590D+01  0.605283D+00
      4   0.430950D-01 -0.134724D+02  0.134823D+02  0.120751D+02 -0.512385D+01
      5  -0.130199D+02 -0.278769D+02 -0.566211D+01 -0.316153D+01  0.104767D+02
      6  -0.166949D+01 -0.122351D+02 -0.894966D+00 -0.823342D+01 -0.505359D+01
                76            77            78            79            80 
      1  -0.773219D+01 -0.756801D+01 -0.872870D-01 -0.685420D+01 -0.168756D+01
      2   0.908486D+01  0.161625D+02  0.275070D+01  0.419590D+01 -0.291870D+01
      3  -0.135267D+01 -0.859448D+01 -0.266342D+01  0.265831D+01  0.460626D+01
      4   0.135756D+02  0.973100D+01 -0.618693D+01 -0.661832D+01 -0.650220D+01
      5  -0.524582D+01 -0.525026D+01 -0.345954D+01  0.112699D+02  0.728474D+01
      6  -0.636553D+00 -0.201851D+01  0.112302D+02  0.403207D+01  0.111504D+02
                81            82            83            84            85 
      1  -0.816679D+01 -0.108864D+02 -0.550851D+01 -0.908864D+00  0.219268D+02
      2  -0.514245D+01  0.802146D+01  0.768067D+01  0.256259D+01 -0.189569D+02
      3   0.133092D+02  0.286493D+01 -0.217216D+01 -0.165373D+01 -0.296994D+01
      4   0.900247D+01  0.323897D+00 -0.330004D+01  0.228135D+01 -0.117101D+01
      5  -0.164872D+01 -0.140648D+01  0.108312D+01 -0.759264D+01 -0.245288D+01
      6  -0.146781D+01 -0.637400D+00  0.181333D+01  0.974341D+01 -0.349342D+01
                86            87            88            89            90 
      1   0.424662D+02  0.258951D+01  0.529389D+01  0.804074D+01  0.321785D+02
      2  -0.394383D+02 -0.271038D+01 -0.540360D+01 -0.105708D+02 -0.300352D+02
      3  -0.302787D+01  0.120867D+00  0.109706D+00  0.253003D+01 -0.214325D+01
      4  -0.612604D+01 -0.265297D+01 -0.308113D+01 -0.407371D+01 -0.819489D+01
      5  -0.369409D+01 -0.366038D+01 -0.276781D+01 -0.100547D+02 -0.186013D+01
      6  -0.539256D+01 -0.274557D+02 -0.774544D+01 -0.446349D+02 -0.533812D+01
                91            92            93            94            95 
      1   0.489016D+02  0.233294D+02 -0.223025D+01  0.206792D+02  0.139330D+02
      2  -0.194733D+02 -0.597434D+01  0.116633D+01 -0.192703D+01  0.385208D+01
      3  -0.294283D+02 -0.173550D+02  0.106392D+01 -0.187521D+02 -0.177850D+02
      4   0.451169D+02  0.322417D+02 -0.211251D+01  0.380795D+02  0.370682D+02
      5  -0.525105D+01 -0.258171D+01  0.809171D+01 -0.527900D+01 -0.442680D+01
      6  -0.774212D+00 -0.649163D+00  0.331898D+01 -0.225054D+01 -0.194639D+01
                96            97            98            99           100 
      1  -0.183465D+01 -0.818922D+00 -0.621320D+00  0.499510D+00  0.940493D+02
      2   0.956249D+00 -0.714669D+00 -0.939984D+00  0.362294D+00 -0.519651D+02
      3   0.878401D+00  0.153359D+01  0.156130D+01 -0.861803D+00 -0.420841D+02
      4  -0.362299D+01 -0.402684D+01 -0.391590D+01  0.226796D+01 -0.316042D+02
      5   0.569117D+01  0.194054D+01  0.109581D+01 -0.744387D+00  0.118702D+02
      6   0.453714D+01  0.930253D+00  0.170850D+01 -0.975869D+00 -0.414637D+00
               101           102           103           104           105 
      1  -0.207221D+02  0.819112D+01 -0.196878D+02  0.132654D+02 -0.306619D+01
      2   0.101238D+02 -0.554308D+01  0.849581D+01 -0.515212D+01  0.211542D+01
      3   0.105983D+02 -0.264804D+01  0.111920D+02 -0.811331D+01  0.950779D+00
      4   0.165120D+02 -0.287235D+01  0.226972D+02 -0.126249D+02  0.271786D+01
      5  -0.264280D+01  0.115349D+02 -0.522320D+01  0.278121D+01 -0.358347D+01
      6   0.683350D+00 -0.183061D+01  0.150079D+01 -0.689085D+00  0.240700D+01
               106           107           108           109           110 
      1   0.997409D+01 -0.310194D+01  0.270491D+01 -0.392006D+01  0.646654D+01
      2  -0.532001D+01  0.139250D+01 -0.162676D+01  0.528919D+01 -0.592812D+01
      3  -0.465408D+01  0.170944D+01 -0.107814D+01 -0.136912D+01 -0.538422D+00
      4  -0.611061D+01  0.308434D+01 -0.197688D+01  0.753873D+00  0.678888D+01
      5   0.320343D+01 -0.844900D+00  0.222952D+01 -0.337083D+00 -0.629808D+00
      6  -0.602409D+00  0.111414D+01 -0.800363D+00 -0.144881D+01  0.212427D+01
               111           112           113           114           115 
      1  -0.184636D+01  0.380220D+01 -0.371001D+02  0.718412D+01 -0.126709D+01
      2   0.120774D+01 -0.284288D+01  0.513804D+02 -0.709448D+01  0.134909D+01
      3   0.638619D+00 -0.959319D+00 -0.142803D+02 -0.896430D-01 -0.819988D-01
      4  -0.773279D+00  0.610646D+01  0.188042D+02 -0.386303D+01 -0.102018D+01
      5   0.130160D+01 -0.905100D+00 -0.454118D+01  0.252313D+01  0.753819D+00
      6  -0.110467D+01  0.135954D+00 -0.133828D+02  0.969775D+01 -0.153240D+00
               116           117           118           119           120 
      1   0.747726D+01 -0.328419D+01  0.163235D+01 -0.298445D+01  0.566474D+00
      2  -0.916932D+01  0.349168D+01  0.316336D+01 -0.273071D+01  0.643424D-01
      3   0.169206D+01 -0.207493D+00 -0.479572D+01  0.571516D+01 -0.630817D+00
      4  -0.302655D+01 -0.103359D+00 -0.107459D+02  0.154109D+02 -0.275166D+01
      5   0.554217D+00 -0.167554D+00  0.181570D+01 -0.248500D+01  0.295790D+01
      6   0.535024D+01 -0.317924D+01 -0.178137D+01  0.178950D+01 -0.188659D+01
               121           122           123           124           125 
      1   0.843142D+00 -0.246487D+02  0.428704D+01  0.329534D+00  0.437910D+01
      2  -0.798919D+01  0.443645D+02 -0.512893D+01  0.706846D+00 -0.721753D+01
      3   0.714605D+01 -0.197158D+02  0.841893D+00 -0.103638D+01  0.283843D+01
      4   0.178133D+02 -0.425733D+02  0.724964D+01 -0.353660D+01  0.854519D+01
      5  -0.283507D+01  0.645728D+01 -0.532862D+01  0.149140D+01 -0.192133D+01
      6   0.284298D+01 -0.109197D+02  0.924798D+01 -0.137595D+01  0.534120D+01
               126           127           128           129           130 
      1  -0.276655D+01  0.826626D+00 -0.141620D+01  0.270825D+01  0.390610D+01
      2   0.338850D+01 -0.633606D+00  0.330493D+00 -0.201948D+01 -0.399167D+01
      3  -0.621959D+00 -0.193020D+00  0.108571D+01 -0.688768D+00  0.855681D-01
      4  -0.221773D+01 -0.410351D+01  0.706654D+01 -0.360755D+01  0.104506D+02
      5   0.142057D+01  0.464991D+01 -0.279816D+01  0.743129D+01 -0.324602D+01
      6  -0.299615D+01 -0.530872D+01  0.101031D+01 -0.188805D+01  0.389551D+01
               131           132           133           134           135 
      1  -0.140845D+02  0.892933D+01 -0.254297D+00  0.109436D+02 -0.154052D+02
      2   0.144631D+02 -0.720520D+01 -0.103168D+01 -0.532094D+01 -0.182626D+00
      3  -0.378559D+00 -0.172413D+01  0.128597D+01 -0.562269D+01  0.155878D+02
      4  -0.145663D+02  0.682348D+01 -0.568599D+01  0.920648D+01 -0.989538D+01
      5   0.721386D+01 -0.911414D+01  0.100860D+02 -0.102559D+02  0.156165D+02
      6  -0.159399D+02  0.173197D+02 -0.731632D+01  0.183107D+02 -0.228473D+02
               136           137           138           139           140 
      1  -0.208260D+02  0.301682D+02  0.723938D+01  0.290195D+02  0.654949D+01
      2  -0.766356D+01 -0.173006D+02 -0.911114D+01 -0.149316D+02 -0.892696D+01
      3   0.284896D+02 -0.128676D+02  0.187176D+01 -0.140880D+02  0.237747D+01
      4   0.388151D+02 -0.165844D+02  0.494910D+01 -0.859835D+01 -0.258935D+01
      5   0.443630D+01 -0.906062D-01  0.499592D+01  0.256206D+01  0.756543D+00
      6  -0.290749D+01 -0.105203D+02 -0.626213D+01 -0.942564D+01 -0.630379D+01
               141           142           143           144           145 
      1   0.284551D+01  0.541485D+01  0.304261D+01 -0.260042D+01  0.315408D+01
      2  -0.179678D+02 -0.848307D+01 -0.123873D+02  0.136629D+02 -0.392199D+01
      3   0.151223D+02  0.306822D+01  0.934468D+01 -0.110625D+02  0.767915D+00
      4  -0.851052D-01  0.164359D+02 -0.692415D+01 -0.175467D+02  0.284080D+00
      5  -0.153889D+02  0.998555D+01 -0.176617D+02  0.233354D+01  0.381153D+01
      6   0.643113D+01 -0.133720D+02  0.108107D+02  0.475929D+01  0.123880D+01
               146           147           148           149           150 
      1   0.903227D+00  0.784669D+01  0.675630D+00 -0.654909D+01 -0.641221D+01
      2   0.269740D+00  0.332168D+00 -0.153049D+01  0.167305D+01 -0.213901D+01
      3  -0.117297D+01 -0.817886D+01  0.854862D+00  0.487604D+01  0.855122D+01
      4  -0.108361D+01  0.610507D+00  0.352618D+01  0.615589D+01  0.691718D+01
      5   0.298807D-01  0.447574D+00  0.356614D+01  0.609377D+01  0.980403D+01
      6  -0.939588D+00 -0.167559D+01  0.153296D+01  0.702513D+01  0.122096D+02
               151           152           153           154           155 
      1   0.473128D+01 -0.426235D+01 -0.175216D+02  0.775555D+02 -0.887145D+01
      2  -0.803123D+01 -0.265307D+01 -0.233233D+02 -0.438166D+02  0.481116D+01
      3   0.329995D+01  0.691542D+01  0.408448D+02 -0.337389D+02  0.406029D+01
      4   0.261993D+01  0.797614D+01  0.853196D+01 -0.878137D+01  0.110183D+02
      5   0.139337D+02  0.775687D+01  0.364122D+02  0.175802D+02 -0.214923D+01
      6   0.247360D+01  0.787632D+01  0.128555D+02 -0.134363D+01  0.141409D+01
               156           157           158           159           160 
      1   0.615161D+01 -0.148357D+02  0.764359D+01 -0.247447D+01 -0.198479D+01
      2  -0.569707D+01  0.837712D+01 -0.275435D+01  0.115569D+01 -0.436469D+00
      3  -0.454535D+00  0.645853D+01 -0.488924D+01  0.131878D+01  0.242126D+01
      4  -0.618063D+00  0.130445D+02 -0.601956D+01  0.580529D+00 -0.588973D+00
      5   0.113333D+02 -0.491879D+01  0.130838D+01 -0.203609D+01  0.109437D+02
      6  -0.505394D+00  0.230169D+01 -0.127629D+01  0.236710D+01 -0.872897D+00
               161           162           163           164           165 
      1  -0.371955D+00  0.551869D+01 -0.568077D+00  0.275659D+01  0.734906D+00
      2  -0.742246D+00 -0.561866D+01  0.159441D+01 -0.261149D+01 -0.147995D+01
      3   0.111420D+01  0.999733D-01 -0.102633D+01 -0.145099D+00  0.745044D+00
      4  -0.876017D+00 -0.410070D+00  0.285823D+01  0.807299D+01  0.468381D+01
      5  -0.778785D+00  0.329007D+01  0.185394D+01  0.319638D+01  0.582772D+01
      6   0.137557D+01  0.285099D+00  0.647087D+01  0.763616D+00  0.143164D+01
               166           167           168           169           170 
      1  -0.427805D+01 -0.325451D+02 -0.116389D+02 -0.208562D+01 -0.262883D+02
      2   0.594341D+01  0.411046D+02  0.138157D+02  0.279533D+01  0.276894D+02
      3  -0.166535D+01 -0.855950D+01 -0.217679D+01 -0.709713D+00 -0.140107D+01
      4   0.705362D+01  0.106156D+02  0.397536D+01  0.849376D+01  0.812190D+01
      5   0.266384D+01  0.420468D+01  0.325771D+01  0.559542D+01  0.744209D+01
      6   0.327104D+01  0.219194D+02  0.177738D+02  0.651999D+01  0.326125D+02
               171           172           173           174           175 
      1  -0.224750D+02  0.274882D+00  0.389308D+01 -0.319332D+01 -0.445023D+01
      2   0.165874D+02  0.194369D+00 -0.403860D+01  0.202942D+01  0.524883D+01
      3   0.588760D+01 -0.469251D+00  0.145519D+00  0.116391D+01 -0.798601D+00
      4   0.620062D+01  0.745820D+00  0.670641D+01 -0.432254D+01  0.570918D+01
      5   0.615701D+01 -0.105883D+01 -0.256813D+01  0.376751D+01 -0.161628D+01
      6   0.263119D+02 -0.518898D+01  0.237729D+01 -0.138636D+01 -0.207201D+01
               176           177           178           179           180 
      1  -0.274279D+02  0.121048D+02  0.109411D+01  0.201268D+02 -0.208571D+02
      2   0.333166D+02 -0.134278D+02 -0.129920D+01 -0.199059D+02  0.141742D+02
      3  -0.588870D+01  0.132300D+01  0.205087D+00 -0.220856D+00  0.668286D+01
      4   0.778397D+01 -0.295080D+01 -0.616175D+01 -0.530153D+01  0.470538D+01
      5  -0.376196D+01  0.358863D+01  0.410956D+01  0.626993D+01 -0.520123D+01
      6  -0.194485D+02  0.178625D+02  0.507294D+01  0.272179D+02 -0.230418D+02
               181           182           183           184           185 
      1   0.380433D+01 -0.187233D+01 -0.405044D+01  0.121800D+01 -0.561972D+00
      2  -0.321505D+01  0.516724D+00  0.374421D+01 -0.258703D+01 -0.521274D+01
      3  -0.589277D+00  0.135561D+01  0.306230D+00  0.136903D+01  0.577471D+01
      4  -0.273516D+01  0.237958D+01  0.255183D+00 -0.557569D+00  0.783790D+01
      5  -0.458122D+01 -0.141676D+01  0.459167D+01 -0.607379D+01 -0.314792D+01
      6   0.689636D+00  0.113582D+01  0.530387D+00  0.158395D+01 -0.270609D+01
               186           187           188           189           190 
      1   0.232576D+01 -0.427012D+01 -0.978295D+00 -0.798403D+01  0.442873D+02
      2   0.118724D+02  0.622169D+01  0.988450D+01 -0.195032D+02 -0.979110D+01
      3  -0.141982D+02 -0.195157D+01 -0.890620D+01  0.274872D+02 -0.344962D+02
      4  -0.318224D+01  0.145481D+01 -0.580826D+01  0.510156D+01 -0.508603D+02
      5   0.122093D+02  0.896170D+01  0.468612D+01 -0.205217D+02 -0.141237D+02
      6  -0.227331D+01 -0.147751D+01  0.310185D+01  0.767687D+01  0.554859D+01
               191           192           193           194           195 
      1  -0.135249D+02 -0.104280D-01 -0.106181D+02  0.250575D+01 -0.961056D+00
      2  -0.448493D+01  0.208283D+01 -0.391231D+01  0.957589D+01  0.121554D+01
      3   0.180098D+02 -0.207240D+01  0.145304D+02 -0.120816D+02 -0.254482D+00
      4   0.321237D+02  0.315888D+01  0.259068D+02 -0.215978D+02 -0.148446D+01
      5   0.656573D+01  0.103426D+02  0.462741D+01 -0.344147D+01 -0.285627D+01
      6  -0.439972D+01 -0.686004D+01 -0.220343D+01  0.396121D+01  0.388247D+01
               196           197           198           199           200 
      1   0.449500D+01 -0.108941D+01  0.351702D+01 -0.629868D+01 -0.170934D+02
      2   0.117875D+01 -0.128298D+01 -0.256935D+01  0.890470D+01  0.188543D+02
      3  -0.567375D+01  0.237239D+01 -0.947673D+00 -0.260601D+01 -0.176091D+01
      4  -0.697439D+01  0.470261D+01 -0.375434D+01  0.318509D+01  0.200410D+01
      5   0.689527D+01 -0.193205D+01  0.284294D+00  0.286907D+01  0.516301D+00
      6  -0.433998D+01  0.275603D+01 -0.111934D+01  0.377818D+01  0.104799D+02
               201           202           203           204           205 
      1  -0.815154D+01 -0.119345D+02 -0.269049D+02 -0.108296D+02 -0.368651D+01
      2   0.568290D+01  0.102828D+02  0.360566D+02  0.104629D+02  0.265673D+01
      3   0.246864D+01  0.165177D+01 -0.915172D+01  0.366692D+00  0.102978D+01
      4  -0.304809D+00  0.775964D+01 -0.667713D+01 -0.226849D+01 -0.163036D+00
      5  -0.118624D+01  0.299036D+01 -0.179966D+01 -0.113418D+01  0.176746D+01
      6   0.865321D+01  0.419864D+01  0.176994D+02  0.120002D+02  0.398650D+01
               206           207 
      1  -0.887813D+01 -0.863867D+01
      2   0.787322D+01  0.389533D+01
      3   0.100491D+01  0.474334D+01
      4  -0.942079D+00  0.105544D+01
      5  -0.896401D-01 -0.184729D+01
      6   0.102719D+02  0.800920D+01
 Leave Link  716 at Mon Jul 19 19:06:51 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152086D+03 -0.233996D+01  0.267630D+01
      2  -0.233996D+01  0.133162D+03 -0.373533D+01
      3   0.267630D+01 -0.373533D+01  0.888130D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.209902D+01 -0.564001D+01 -0.117858D+02
      2   0.753233D+01 -0.122482D+02 -0.522890D+01
      3   0.515277D+01 -0.494244D+02  0.939758D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.142388D+03  0.154687D+02  0.366467D+01
      2  -0.732738D+02  0.480550D+01  0.103037D+02
      3  -0.691144D+02 -0.202742D+02 -0.139684D+02
      4   0.517568D+02  0.660090D+02 -0.284040D+02
      5   0.181969D+01 -0.298386D+02 -0.182089D+02
      6  -0.135408D+02  0.742856D+01  0.157730D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.204031D+01  0.185522D+01 -0.351032D+00  0.452882D+01 -0.101185D+01
      2   0.185522D+01  0.186640D+01 -0.564176D+00 -0.101185D+01  0.249905D+01
      3  -0.351032D+00 -0.564176D+00  0.218630D+01  0.945581D+00  0.975716D+00
                 6             7             8             9            10 
      1   0.945581D+00 -0.132945D+01  0.807233D+00  0.421540D+01  0.506685D+01
      2   0.975716D+00  0.807233D+00  0.716650D+00  0.290962D+01 -0.113798D+01
      3   0.177957D+01  0.421540D+01  0.290962D+01 -0.795372D+00 -0.425340D+00
                11            12            13            14            15 
      1  -0.113798D+01 -0.425340D+00 -0.227162D+01 -0.154550D+01  0.117266D+01
      2   0.256130D+01 -0.739683D-01 -0.154550D+01 -0.267309D+01 -0.769101D+00
      3  -0.739683D-01  0.250840D+01  0.117266D+01 -0.769101D+00 -0.777317D+00
                16            17            18            19            20 
      1  -0.206888D-02  0.126207D+01  0.510423D+01  0.146177D+00 -0.482535D+01
      2   0.126207D+01  0.155159D+00 -0.136680D+01 -0.482535D+01  0.815066D-02
      3   0.510423D+01 -0.136680D+01  0.135796D+01  0.307072D+00 -0.241071D+00
                21            22            23            24            25 
      1   0.307072D+00  0.456278D+01 -0.951030D+00 -0.148088D+00 -0.821027D+00
      2  -0.241071D+00 -0.951030D+00  0.182063D+01  0.988396D+00 -0.102643D+01
      3  -0.771336D+00 -0.148088D+00  0.988396D+00  0.163227D+01  0.531447D-01
                26            27            28            29            30 
      1  -0.102643D+01  0.531447D-01 -0.124826D+02  0.576256D+01 -0.352131D+00
      2   0.129662D+01  0.344838D+01  0.576256D+01 -0.587094D+01  0.278567D+00
      3   0.344838D+01 -0.203030D+01 -0.352131D+00  0.278567D+00 -0.166946D+01
                31            32            33            34            35 
      1   0.978382D+01  0.134709D+01 -0.663020D+00 -0.166943D+01 -0.918747D+00
      2   0.134709D+01  0.272299D+01 -0.313241D+00 -0.918747D+00 -0.159230D+00
      3  -0.663020D+00 -0.313241D+00  0.418387D+00 -0.307506D+01  0.174616D+01
                36            37            38            39            40 
      1  -0.307506D+01 -0.188059D+01 -0.466107D+01  0.550259D+00 -0.132581D+02
      2   0.174616D+01 -0.466107D+01 -0.660757D+01  0.314619D+00 -0.291281D+01
      3  -0.946371D+00  0.550259D+00  0.314619D+00 -0.123037D+01 -0.461994D+00
                41            42            43            44            45 
      1  -0.291281D+01 -0.461994D+00  0.269111D+01 -0.174743D+00 -0.196148D+01
      2  -0.604270D+01 -0.226211D+00 -0.174743D+00 -0.665545D+00 -0.280461D+01
      3  -0.226211D+00 -0.809699D+00 -0.196148D+01 -0.280461D+01  0.478581D+00
                46            47            48            49            50 
      1  -0.290196D+01  0.374400D+01 -0.300012D+00 -0.403978D+01  0.530814D+00
      2   0.374400D+01  0.243026D+01  0.355423D+00  0.530814D+00 -0.108123D+01
      3  -0.300012D+00  0.355423D+00 -0.438322D+00 -0.215370D-02 -0.884458D+00
                51            52            53            54            55 
      1  -0.215370D-02  0.532886D+00  0.502608D+00  0.133630D+01  0.221645D+01
      2  -0.884458D+00  0.502608D+00 -0.137554D+01 -0.335359D+01 -0.987015D+00
      3  -0.187208D+01  0.133630D+01 -0.335359D+01  0.196612D+01 -0.248347D+00
                56            57            58            59            60 
      1  -0.987015D+00 -0.248347D+00 -0.295973D+01  0.440782D+01  0.121026D+01
      2   0.304456D+01  0.157180D+01  0.440782D+01 -0.188678D+01  0.210306D+01
      3   0.157180D+01  0.192654D+01  0.121026D+01  0.210306D+01 -0.385805D+01
                61            62            63            64            65 
      1  -0.196899D+01  0.185089D+01  0.328132D+01  0.682644D+01 -0.245169D+01
      2   0.185089D+01  0.911616D+00 -0.485633D+01 -0.245169D+01 -0.166679D+01
      3   0.328132D+01 -0.485633D+01  0.170942D+01  0.286111D-01 -0.976855D+00
                66            67            68            69            70 
      1   0.286111D-01 -0.387820D+01 -0.608874D+00 -0.106531D+01 -0.285902D+00
      2  -0.976855D+00 -0.608874D+00  0.321054D+00 -0.131123D+01 -0.442418D+00
      3  -0.223733D+01 -0.106531D+01 -0.131123D+01  0.149130D+01  0.250982D+00
                71            72            73            74            75 
      1  -0.442418D+00  0.250982D+00 -0.574975D+01 -0.865322D+00  0.104757D+01
      2  -0.904780D+00  0.357196D+01 -0.865322D+00  0.139473D+01  0.103743D+01
      3   0.357196D+01  0.699869D+01  0.104757D+01  0.103743D+01  0.287029D+00
                76            77            78            79            80 
      1   0.498310D+00 -0.184125D+01  0.682896D+00  0.119000D+01  0.467337D-01
      2  -0.184125D+01 -0.313149D+01  0.102449D+01  0.467337D-01  0.125057D+01
      3   0.682896D+00  0.102449D+01  0.231354D+00 -0.139109D+01 -0.202882D+01
                81            82            83            84            85 
      1  -0.139109D+01  0.280803D+01  0.475837D+00 -0.207030D-02  0.219199D+01
      2  -0.202882D+01  0.475837D+00 -0.947766D+00 -0.365300D+00  0.420668D+01
      3  -0.215315D+00 -0.207030D-02 -0.365300D+00 -0.642208D+00  0.435566D+00
                86            87            88            89            90 
      1   0.420668D+01  0.435566D+00  0.672812D+00  0.980920D+00  0.119372D+01
      2   0.924669D+01  0.856991D+00  0.980920D+00  0.249898D+01  0.665609D+01
      3   0.856991D+00  0.383782D+01  0.119372D+01  0.665609D+01  0.111020D+01
                91            92            93            94            95 
      1   0.794441D+01  0.441655D+01 -0.376068D+00  0.456168D+01  0.415899D+01
      2   0.441655D+01  0.320596D+01 -0.210634D+00  0.415899D+01  0.446523D+01
      3  -0.376068D+00 -0.210634D+00  0.773727D+00 -0.558266D+00 -0.451190D+00
                96            97            98            99           100 
      1  -0.558266D+00 -0.336216D+00 -0.431834D+00  0.215837D-01  0.123186D+02
      2  -0.451190D+00 -0.431834D+00 -0.685438D+00  0.497561D-01 -0.293091D+01
      3   0.690742D+00  0.215837D-01  0.497561D-01 -0.127093D+00  0.124479D+01
               101           102           103           104           105 
      1  -0.293091D+01  0.124479D+01 -0.301595D+01  0.234056D+01 -0.610477D+00
      2   0.151046D+01 -0.301748D+00  0.234056D+01 -0.140305D+01  0.312912D+00
      3  -0.301748D+00  0.107503D+01 -0.610477D+00  0.312912D+00 -0.409791D+00
               106           107           108           109           110 
      1   0.154273D+01 -0.604222D+00  0.143873D+00 -0.515226D+00  0.128190D+01
      2  -0.604222D+00  0.430894D+00 -0.911668D-01  0.128190D+01 -0.995692D+00
      3   0.143873D+00 -0.911668D-01  0.204874D+00 -0.210075D+00  0.293510D+00
               111           112           113           114           115 
      1  -0.210075D+00  0.123517D+01 -0.489301D+00  0.264838D-01 -0.233363D+00
      2   0.293510D+00 -0.489301D+00  0.962143D+01 -0.171448D+01  0.267388D+00
      3  -0.122684D+00  0.264838D-01 -0.171448D+01  0.126431D+01  0.539772D-01
               116           117           118           119           120 
      1   0.267388D+00  0.539772D-01  0.109478D+01 -0.166597D+01  0.355478D+00
      2  -0.194545D+01  0.475699D+00 -0.166597D+01  0.172714D+01 -0.330498D+00
      3   0.475699D+00 -0.290362D+00  0.355478D+00 -0.330498D+00  0.365151D+00
               121           122           123           124           125 
      1  -0.181640D+01  0.247259D+01 -0.468842D+00  0.255331D+00 -0.509006D+00
      2   0.247259D+01 -0.999517D+01  0.170037D+01 -0.509006D+00  0.191841D+01
      3  -0.468842D+00  0.170037D+01 -0.126121D+01  0.216427D+00 -0.501126D+00
               126           127           128           129           130 
      1   0.216427D+00 -0.233196D+00  0.884323D+00 -0.108316D+01  0.242973D+01
      2  -0.501126D+00  0.884323D+00 -0.561182D+00  0.853813D-01 -0.196065D+01
      3   0.267665D+00 -0.108316D+01  0.853813D-01 -0.694106D+00  0.475108D+00
               131           132           133           134           135 
      1  -0.196065D+01  0.475108D+00 -0.188646D+01  0.867642D+00 -0.159531D+01
      2   0.445414D+01 -0.241919D+01  0.867642D+00 -0.298917D+01  0.326761D+01
      3  -0.241919D+01  0.285574D+01 -0.159531D+01  0.326761D+01 -0.519644D+01
               136           137           138           139           140 
      1   0.590265D+01 -0.496489D+01  0.125385D+00 -0.253834D+01 -0.191425D+01
      2  -0.496489D+01 -0.902877D+00 -0.214398D+01 -0.191425D+01 -0.107083D+01
      3   0.125385D+00 -0.214398D+01 -0.125573D+01 -0.218897D+01 -0.129451D+01
               141           142           143           144           145 
      1  -0.218897D+01  0.418149D+01 -0.367603D+01 -0.194788D+01 -0.531072D+00
      2  -0.129451D+01 -0.367603D+01  0.390505D+00  0.347104D+01 -0.924677D-01
      3   0.322553D+01 -0.194788D+01  0.347104D+01 -0.119665D+01 -0.938272D+00
               146           147           148           149           150 
      1  -0.924677D-01 -0.938272D+00 -0.173672D+00 -0.192645D+00 -0.381713D+00
      2   0.591309D+00  0.325935D+00 -0.192645D+00 -0.149932D+01 -0.168701D+01
      3   0.325935D+00  0.131484D+01 -0.381713D+00 -0.168701D+01 -0.246714D+01
               151           152           153           154           155 
      1  -0.160507D+01 -0.279856D+00 -0.179026D+01 -0.119823D+02  0.143124D+01
      2  -0.279856D+00 -0.177061D+01 -0.193078D+01  0.143124D+01 -0.131629D+01
      3  -0.179026D+01 -0.193078D+01 -0.908389D+01 -0.115390D+01  0.993091D-01
               156           157           158           159           160 
      1  -0.115390D+01  0.252139D+01 -0.149374D+01  0.405767D+00  0.363426D+00
      2   0.993091D-01 -0.149374D+01  0.913012D+00 -0.580674D-02  0.718029D-01
      3  -0.119703D+01  0.405767D+00 -0.580674D-02  0.924275D-01 -0.128108D+01
               161           162           163           164           165 
      1   0.718029D-01 -0.128108D+01 -0.602680D+00 -0.100879D+01 -0.930726D+00
      2   0.240999D+00 -0.394394D-01 -0.100879D+01  0.293928D+00 -0.115007D+00
      3  -0.394394D-01 -0.599026D+00 -0.930726D+00 -0.115007D+00 -0.380944D+00
               166           167           168           169           170 
      1  -0.162996D+01 -0.169658D+01 -0.427664D+00 -0.269757D+01 -0.123796D+01
      2  -0.169658D+01 -0.763161D+01 -0.286509D+01 -0.123796D+01 -0.598571D+01
      3  -0.427664D+00 -0.286509D+01 -0.218206D+01 -0.861306D+00 -0.460726D+01
               171           172           173           174           175 
      1  -0.861306D+00  0.430469D-01 -0.447816D+00  0.819127D+00 -0.135171D+01
      2  -0.460726D+01 -0.447816D+00  0.724379D+00 -0.315628D+00 -0.141533D+01
      3  -0.430782D+01  0.819127D+00 -0.315628D+00  0.163525D+00  0.248472D+00
               176           177           178           179           180 
      1  -0.141533D+01  0.248472D+00  0.169756D+01  0.757703D+00 -0.637927D+00
      2  -0.637532D+01  0.268657D+01  0.757703D+00  0.441727D+01 -0.405381D+01
      3   0.268657D+01 -0.246319D+01 -0.637927D+00 -0.405381D+01  0.393164D+01
               181           182           183           184           185 
      1  -0.813927D+00  0.303604D-01  0.728283D+00 -0.103653D+01  0.204708D+00
      2   0.303604D-01  0.619299D-01  0.306697D+00  0.204708D+00 -0.170401D+01
      3   0.728283D+00  0.306697D+00 -0.579932D-01  0.911994D+00  0.920406D+00
               186           187           188           189           190 
      1   0.911994D+00  0.120423D+01  0.317868D+00 -0.101795D+01 -0.102475D+02
      2   0.920406D+00  0.317868D+00  0.158683D+01 -0.116243D+01  0.469401D+01
      3  -0.313158D+01 -0.101795D+01 -0.116243D+01  0.550158D+01  0.778271D+00
               191           192           193           194           195 
      1   0.469401D+01  0.778271D+00  0.370594D+01 -0.263573D+01 -0.721753D-01
      2  -0.329387D+01 -0.447019D+00 -0.263573D+01  0.288790D+01  0.412025D+00
      3  -0.447019D+00 -0.138183D+01 -0.721753D-01  0.412025D+00  0.350871D+00
               196           197           198           199           200 
      1  -0.162293D+01  0.921084D+00 -0.843195D+00  0.153313D+01  0.146327D+01
      2   0.921084D+00 -0.763839D+00  0.193892D+00  0.146327D+01  0.274247D+01
      3  -0.843195D+00  0.193892D+00 -0.140318D+00  0.386283D+00  0.141721D+01
               201           202           203           204           205 
      1   0.386283D+00  0.195035D+01  0.100028D+01  0.533872D+00  0.126900D+00
      2   0.141721D+01  0.100028D+01  0.554249D+01  0.196057D+01  0.647314D+00
      3   0.147880D+01  0.533872D+00  0.196057D+01  0.136180D+01  0.531583D+00
               206           207 
      1   0.647314D+00  0.531583D+00
      2   0.143081D+01  0.100596D+01
      3   0.100596D+01  0.140225D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.743278D+00 -0.971521D+00 -0.370938D+01 -0.174128D+01  0.103535D+01
      2  -0.137780D+01 -0.586147D+00  0.527732D+01  0.257372D+01  0.241020D+01
      3  -0.415486D+01 -0.125616D+02  0.143356D+01  0.722571D+01 -0.102935D+01
                 6             7             8             9            10 
      1  -0.158033D+00 -0.809431D+01  0.595544D+01 -0.188605D+01 -0.562566D+00
      2   0.609813D+01  0.195550D+01  0.110670D+02 -0.278097D+01  0.573847D+00
      3  -0.217545D+01 -0.194994D+01 -0.330104D+01 -0.434488D+01  0.361876D+01
                11            12            13            14            15 
      1  -0.217360D+00  0.200803D+01 -0.198468D+00  0.202413D+01  0.169658D+01
      2  -0.371496D-01  0.772174D+01  0.376896D+01 -0.116025D+01 -0.312988D+01
      3  -0.107972D+02  0.483602D+00  0.109472D+02  0.288379D+00  0.272663D+01
                16            17            18            19            20 
      1   0.520344D+01  0.106384D+02 -0.185106D+01  0.452691D+00  0.125649D+01
      2   0.846191D+01 -0.630716D+01  0.369347D+01  0.292775D+01 -0.344898D+01
      3  -0.267098D+01  0.205598D+01  0.197919D+01  0.501781D+01 -0.580241D+01
                21            22            23            24            25 
      1   0.283244D+01  0.478964D-01 -0.441561D+00 -0.304685D+01  0.247417D+01
      2  -0.181893D+01 -0.190569D+01 -0.294521D+00  0.331010D+01 -0.141409D+02
      3   0.249914D+01  0.411552D+01 -0.865980D+01 -0.401176D+00  0.313075D+01
                26            27            28            29            30 
      1   0.681025D+00  0.118548D+01 -0.582957D+00 -0.822123D+00  0.148489D+01
      2   0.502577D+01 -0.357184D+01 -0.132727D+01  0.256815D+01 -0.261487D+01
      3  -0.191242D+01 -0.738693D+01 -0.141750D+01  0.119556D+02 -0.111587D+01
                31            32            33            34            35 
      1  -0.875493D+00  0.210761D+01 -0.500994D+00  0.244612D+01  0.942339D+01
      2   0.239562D+01 -0.854462D+00  0.287537D+00 -0.151793D+02  0.152541D+01
      3   0.130576D+02 -0.117210D+02 -0.197964D+01  0.122489D+01  0.289708D+01
                36            37            38            39            40 
      1  -0.734038D+00  0.138929D+01 -0.488892D+00 -0.638968D+00 -0.147345D+01
      2  -0.100253D+01  0.108199D+01  0.695065D+00 -0.190267D+01 -0.281285D+01
      3  -0.216892D+01 -0.655787D+01  0.755386D+01 -0.286006D+01  0.121966D+02
                41            42            43            44            45 
      1  -0.114583D+00 -0.607695D+00 -0.330202D+01  0.776162D+01 -0.824031D+00
      2   0.339206D+01 -0.833379D+00 -0.143964D+02 -0.676349D+00 -0.846787D+00
      3   0.185822D+02  0.976748D+00  0.343104D+00 -0.241864D+01  0.357762D+01
                46            47            48            49            50 
      1   0.104557D+00  0.547178D+00 -0.160220D+01  0.135360D+01 -0.539249D+00
      2  -0.748939D+00 -0.176525D+01 -0.101478D+01 -0.238188D+01 -0.200496D+01
      3  -0.717496D+00 -0.123677D+02  0.173252D+01 -0.444897D+00  0.549440D+01
                51            52            53            54            55 
      1  -0.279622D+01  0.161582D+01  0.132860D+01  0.553326D+00  0.626230D+00
      2  -0.500748D+01 -0.104198D+02 -0.895823D+01  0.334751D+01 -0.524513D+00
      3   0.978965D+00  0.147761D+01  0.105280D+01  0.705193D+01  0.350941D+01
                56            57            58            59            60 
      1  -0.308701D+01 -0.289712D+01 -0.137130D+01 -0.416839D+01  0.110992D+01
      2  -0.121730D+01  0.107453D+01 -0.351991D+01  0.183340D+00  0.614670D+01
      3  -0.183637D+01  0.187900D+01  0.118338D+02  0.637986D+01  0.678547D+01
                61            62            63            64            65 
      1  -0.678972D+01  0.905943D+01 -0.516650D+00  0.292735D+01  0.172150D+01
      2  -0.107305D+02  0.936743D+01 -0.517505D+00  0.861906D+01 -0.215670D+01
      3   0.315672D-01  0.680855D+01 -0.507640D+01 -0.109229D+02 -0.741788D+01
                66            67            68            69            70 
      1   0.150379D+01 -0.920990D+00  0.296381D+01  0.202995D+01  0.232299D+01
      2   0.667303D+01 -0.232917D+01  0.161853D+01 -0.615216D+01 -0.243136D+01
      3  -0.316810D+01 -0.529186D+01  0.274623D+01 -0.474474D+01  0.504776D+00
                71            72            73            74            75 
      1   0.115051D+01 -0.205296D+01  0.444669D+00  0.110341D+01  0.720137D+00
      2  -0.106153D+02 -0.177952D+02  0.165197D+01 -0.955821D+00  0.664153D+01
      3  -0.274047D+01  0.751994D+01  0.129811D+02 -0.604996D+01  0.110709D+01
                76            77            78            79            80 
      1  -0.714130D+00  0.181250D+01 -0.807020D+01 -0.467149D+01  0.231843D+01
      2  -0.252625D+00 -0.394080D+01 -0.680163D+00 -0.350417D+01  0.534639D+01
      3   0.417036D+01 -0.557644D+01  0.482013D+01 -0.191177D+01  0.768861D+01
                81            82            83            84            85 
      1   0.389828D+01  0.620684D-01  0.480530D+00 -0.408151D+01  0.131894D+01
      2  -0.629740D+00 -0.281079D+01  0.457152D+00 -0.239894D+01  0.770513D+00
      3  -0.206990D+01 -0.481396D+01 -0.714436D+00 -0.105433D+01  0.715739D+01
                86            87            88            89            90 
      1   0.207088D+01  0.977484D+01  0.639687D+01  0.224062D+02  0.206873D+01
      2  -0.117798D+00 -0.110653D+00 -0.538772D+01 -0.454642D+01 -0.307138D+00
      3  -0.660323D+01 -0.738884D+00 -0.371610D+01 -0.274387D+01  0.353552D+01
                91            92            93            94            95 
      1  -0.195469D+00 -0.429540D+00 -0.247305D+01  0.306305D+00 -0.114766D+00
      2   0.419936D+00  0.277064D+00  0.438134D+01 -0.939525D+00 -0.733487D+00
      3  -0.267324D+01 -0.649103D+01  0.583636D-01 -0.501160D+01 -0.933462D+01
                96            97            98            99           100 
      1  -0.251767D+01  0.124666D+01  0.117917D+01  0.208370D+00  0.212484D+00
      2   0.352268D+01 -0.185329D+01 -0.985680D+00 -0.295652D+00  0.188116D+01
      3   0.646583D+00  0.890637D+00  0.128992D+01  0.183739D-01  0.264207D+01
               101           102           103           104           105 
      1   0.415290D+00  0.153015D+01 -0.945690D-01 -0.140597D+00 -0.897227D+00
      2  -0.445335D+00  0.646210D+01 -0.169367D+01  0.794804D+00 -0.225295D+01
      3  -0.623829D+01  0.282029D+00 -0.478629D+01  0.386292D+01 -0.663722D+00
               106           107           108           109           110 
      1  -0.800758D+00  0.607242D+00  0.187927D+00 -0.351028D+00  0.153156D+00
      2  -0.250237D+01  0.593644D+00  0.685588D+00 -0.726733D+00  0.599761D+00
      3   0.971576D+00 -0.120340D+01  0.161409D+00 -0.460657D+01  0.346201D+01
               111           112           113           114           115 
      1   0.760850D+00  0.434852D+00 -0.981302D+00 -0.491252D+01 -0.214283D+00
      2  -0.101734D+00  0.103935D+01 -0.246449D+01  0.117319D+01 -0.153281D+01
      3  -0.530805D+00  0.661501D+01 -0.152774D+02  0.270881D+01 -0.131489D+01
               116           117           118           119           120 
      1   0.219803D+01  0.595820D+00  0.108514D-01 -0.154007D+00  0.108939D+01
      2   0.452410D+00 -0.542440D-01  0.460988D+00 -0.296570D+00  0.886473D+00
      3   0.323962D+01 -0.290504D+00  0.182336D+01 -0.110492D+01  0.218330D+00
               121           122           123           124           125 
      1  -0.297843D+00 -0.311300D+00 -0.493995D+01 -0.762034D-01  0.190935D+01
      2  -0.593192D-01  0.319058D+01 -0.295052D+01 -0.130156D+01 -0.114471D+00
      3   0.170615D+01  0.168857D+02 -0.280862D+01 -0.243135D+00 -0.335169D+01
               126           127           128           129           130 
      1   0.700430D+00  0.911349D+00  0.443668D+00  0.987440D+00 -0.178244D+00
      2   0.381889D+00  0.156253D+01 -0.331871D-01  0.127953D+01  0.106706D+01
      3   0.107073D+00  0.235791D+01 -0.230088D+01 -0.123346D+01  0.211063D+01
               131           132           133           134           135 
      1  -0.218589D+00 -0.411973D+01  0.221054D+01  0.137132D+00  0.491751D+01
      2   0.245901D+01 -0.414391D+01 -0.959304D+00 -0.425548D+01  0.661538D+01
      3   0.527921D+01 -0.383994D+01 -0.227507D+01 -0.536979D+01  0.445241D+01
               136           137           138           139           140 
      1  -0.641956D+01  0.245381D+01  0.443349D+00  0.509587D+01 -0.259584D+00
      2  -0.696403D+01  0.110838D+02  0.563552D+01  0.101479D+02  0.313582D+01
      3   0.158439D+01 -0.166017D+02 -0.453662D+01 -0.976801D+01 -0.750216D+01
               141           142           143           144           145 
      1  -0.127568D+02  0.523985D+00 -0.776848D+01  0.582182D+01  0.277650D-01
      2  -0.420605D+01  0.239312D+01 -0.495665D+01  0.365943D+01  0.247428D+01
      3  -0.860469D+01 -0.225826D+01 -0.947063D+01  0.426528D+01  0.743579D+00
               146           147           148           149           150 
      1  -0.187392D+01  0.261508D+00 -0.284185D+00  0.271335D+01 -0.470606D-01
      2  -0.359626D+00 -0.316226D+01 -0.768285D+00  0.365680D+01  0.510036D+01
      3   0.197846D+01  0.515771D+00  0.286804D+01 -0.384869D+01 -0.342316D+01
               151           152           153           154           155 
      1   0.467041D-01  0.552440D+01  0.642670D+00 -0.113228D+01  0.153927D+01
      2  -0.141634D+01  0.439057D+01  0.202256D+02 -0.765718D+01  0.930179D+00
      3   0.611078D+00 -0.516507D+01 -0.288335D+01  0.460400D+01 -0.767266D+01
               156           157           158           159           160 
      1   0.260720D+00  0.121236D+01 -0.119271D+01 -0.935732D+00 -0.390347D+00
      2   0.541155D+01  0.129473D+01 -0.107367D+01 -0.542141D+00  0.237695D+01
      3   0.415792D+00 -0.267499D+01  0.367370D+01  0.548535D+00  0.713445D+00
               161           162           163           164           165 
      1   0.504092D+00  0.487184D+00 -0.269032D+01  0.860238D-01 -0.669589D+00
      2   0.385546D+00  0.384620D+00 -0.539527D+00 -0.330294D+00  0.167635D+01
      3   0.146177D+01 -0.158659D+00  0.203621D+01  0.123538D+01  0.288814D+01
               166           167           168           169           170 
      1  -0.160101D+01 -0.560614D+01 -0.768019D+01 -0.264923D+01 -0.927501D+01
      2  -0.177529D+00  0.901009D+00  0.108758D+01 -0.687422D+00  0.209160D+01
      3   0.373640D+01 -0.276105D+01 -0.138357D+01  0.804348D+01 -0.106130D+01
               171           172           173           174           175 
      1  -0.112460D+02  0.179153D+01 -0.211214D+00  0.562412D+00  0.105114D+01
      2   0.163301D+01 -0.345082D-01  0.286672D+00  0.503961D+00  0.606036D+00
      3  -0.226105D+01 -0.774397D+00 -0.152432D+01 -0.213936D+01  0.301774D+01
               176           177           178           179           180 
      1   0.474960D+01 -0.715383D+01 -0.194757D+01 -0.753133D+01  0.971238D+01
      2  -0.230126D+01  0.181237D+01 -0.154429D+01  0.257487D+01 -0.281795D+01
      3  -0.220722D+01  0.243341D+01 -0.485772D+01  0.302202D+01 -0.306867D+01
               181           182           183           184           185 
      1  -0.128115D+01 -0.283495D+00  0.751880D+00 -0.120862D+01 -0.698169D+01
      2  -0.567236D+00 -0.519373D+00  0.990910D-01  0.265753D+00 -0.208865D+01
      3  -0.114635D+01 -0.359784D+00  0.162495D+01 -0.227266D+00 -0.450384D+01
               186           187           188           189           190 
      1   0.624578D+01  0.205924D+01  0.698919D+01 -0.119476D+02  0.203136D+01
      2   0.573608D+01 -0.193460D+01  0.255252D+01 -0.973618D+01  0.712300D+01
      3   0.336038D+01  0.258943D+01  0.439448D+01 -0.465080D+01 -0.121365D+02
               191           192           193           194           195 
      1  -0.220581D+01  0.383205D+01 -0.178408D+01  0.159903D+01 -0.134214D+01
      2  -0.274730D+01  0.561171D+01 -0.312810D+01  0.897313D+00 -0.170508D+01
      3  -0.822848D+00  0.254026D+00  0.382623D+01  0.174402D+01  0.840397D+00
               196           197           198           199           200 
      1   0.179051D+01  0.429330D+00  0.425737D+00  0.147986D+01  0.544562D+00
      2   0.101159D+01 -0.326333D+00  0.113377D+01 -0.415959D+01 -0.386651D+01
      3  -0.910020D+00  0.337748D+00 -0.170225D+01  0.101748D+02  0.789694D+01
               201           202           203           204           205 
      1  -0.295722D+01  0.584314D+00  0.186192D+01 -0.278008D+01 -0.572924D+00
      2  -0.191570D+01 -0.396109D+01 -0.560511D+01 -0.256037D+01 -0.232045D+01
      3   0.311223D+01  0.966384D+01  0.129184D+02  0.527549D+01  0.157554D+01
               206           207 
      1   0.955479D+00 -0.221318D+01
      2  -0.246137D+01 -0.274248D+01
      3   0.448973D+01  0.339357D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.387862D+00 -0.180784D+02  0.282458D+01  0.295956D+02 -0.854932D+00
      2  -0.353053D+01  0.121793D+02  0.158260D+01 -0.286143D+02 -0.302492D+01
      3   0.391840D+01  0.589917D+01 -0.440718D+01 -0.981283D+00  0.387985D+01
      4  -0.179854D+02  0.147688D+02 -0.399834D+01 -0.230218D+01 -0.174152D+02
      5  -0.207056D+01 -0.239063D+01  0.113759D+02  0.722334D+01  0.665761D+01
      6  -0.240305D+01 -0.153542D+01  0.849398D+01  0.681450D+01  0.269196D+01
                 6             7             8             9            10 
      1   0.159863D+01 -0.820499D+01 -0.138839D+01  0.103414D+02 -0.570087D+01
      2  -0.302919D+01  0.965509D+01  0.406008D+01 -0.141019D+02  0.245189D+01
      3   0.143056D+01 -0.145010D+01 -0.267168D+01  0.376049D+01  0.324898D+01
      4   0.967446D+01  0.320279D+01  0.925155D+01  0.147164D+02  0.989924D+01
      5   0.132345D+02  0.297932D+02  0.161605D+02 -0.665887D+01 -0.632887D+01
      6   0.131287D+01  0.901332D+01  0.108362D+02  0.220665D+01 -0.308471D+00
                11            12            13            14            15 
      1   0.690311D+01 -0.634395D+01 -0.202548D+02 -0.195764D+02  0.615077D+01
      2  -0.349432D+01  0.201196D+01  0.187425D+02  0.191527D+02 -0.749734D+01
      3  -0.340879D+01  0.433200D+01  0.151222D+01  0.423687D+00  0.134657D+01
      4   0.228494D+02  0.437875D+00 -0.190644D+02  0.146118D+02 -0.773751D+01
      5   0.142599D+01  0.166836D+02  0.107463D+02 -0.415243D+01 -0.726836D+01
      6  -0.150786D+00 -0.455028D+01 -0.546098D+01 -0.225456D+01 -0.352328D+01
                16            17            18            19            20 
      1  -0.347762D+01  0.729597D+01  0.166031D+02  0.103468D+02 -0.154600D+01
      2  -0.196597D+01 -0.478480D+01 -0.198885D+02 -0.677777D+01 -0.147317D+01
      3   0.544360D+01 -0.251118D+01  0.328547D+01 -0.356902D+01  0.301917D+01
      4   0.119143D+02 -0.480877D+01 -0.567265D+01  0.598605D+01 -0.244015D+02
      5   0.369748D+02 -0.840851D+01  0.734103D+01  0.337962D+01  0.181062D+01
      6  -0.389656D+01  0.603110D+01  0.259723D+01  0.209827D+01 -0.129192D+01
                21            22            23            24            25 
      1   0.135328D+01  0.731985D+01  0.104950D+02 -0.519977D+01  0.102101D+01
      2  -0.226863D+01 -0.776153D+00 -0.166256D+02  0.735543D+01 -0.161131D+01
      3   0.915348D+00 -0.654369D+01  0.613066D+01 -0.215566D+01  0.590300D+00
      4   0.334859D+01  0.178925D+02  0.947714D+01  0.696286D+00 -0.159667D+01
      5  -0.547585D+01 -0.151199D+01  0.266875D+00  0.492793D+01  0.303606D+01
      6  -0.515518D+01 -0.179322D+01  0.106047D+02  0.520649D+01  0.102171D+01
                26            27            28            29            30 
      1  -0.441674D+01 -0.135782D+02 -0.334160D+02  0.132237D+02 -0.201039D+01
      2   0.978086D+01  0.138629D+00  0.196543D+02 -0.638602D+01 -0.295198D+00
      3  -0.536412D+01  0.134396D+02  0.137617D+02 -0.683768D+01  0.230559D+01
      4  -0.243517D+01  0.115500D+02 -0.115905D+02  0.917587D+01 -0.494973D+00
      5   0.108717D+02 -0.765273D+01 -0.265162D+01  0.989730D+00 -0.335365D+01
      6   0.137964D+02 -0.477717D+01  0.240649D+01  0.242724D+00 -0.177815D+01
                31            32            33            34            35 
      1   0.163909D+02 -0.160620D+01  0.105619D+01 -0.731407D+01  0.243042D+01
      2  -0.749657D+01  0.494210D+01 -0.305997D+01 -0.674029D+00 -0.102680D+01
      3  -0.889430D+01 -0.333590D+01  0.200377D+01  0.798810D+01 -0.140362D+01
      4  -0.227928D+01  0.558020D+01 -0.962650D+00  0.424921D+01 -0.242848D+01
      5   0.228331D+01 -0.521306D+00 -0.216641D+00  0.159323D+01  0.142040D+00
      6  -0.601873D+01 -0.258234D+01  0.253049D+01 -0.115447D+01  0.778550D+01
                36            37            38            39            40 
      1  -0.114865D+02 -0.172058D+02 -0.270689D+02  0.262737D+01 -0.203001D+02
      2   0.259581D+00  0.151434D+02  0.195355D+02  0.719758D+00  0.926679D+01
      3   0.112269D+02  0.206235D+01  0.753344D+01 -0.334713D+01  0.110333D+02
      4  -0.267163D+01 -0.407929D+01  0.122785D+01 -0.933209D+00  0.848370D-01
      5  -0.108203D+01  0.244183D+01  0.125679D+01 -0.172319D+01  0.500322D+00
      6   0.505076D+00 -0.250497D+01 -0.262206D+00  0.525967D+00  0.774018D+01
                41            42            43            44            45 
      1  -0.126997D+02 -0.652966D-01  0.173217D+01 -0.221255D+01 -0.149309D+02
      2   0.134806D+02 -0.743388D+00  0.223358D+01  0.223426D+01  0.428587D+01
      3  -0.780885D+00  0.808685D+00 -0.396574D+01 -0.217146D-01  0.106450D+02
      4  -0.593051D+01  0.262730D+01  0.894096D+00  0.201732D+01 -0.178292D+01
      5   0.297638D+01 -0.675536D+00  0.194004D+01 -0.272851D+01 -0.189217D+00
      6  -0.220030D+00  0.116234D+01 -0.778462D+00  0.111331D+02  0.177176D+01
                46            47            48            49            50 
      1   0.117467D+02  0.170371D+02  0.683477D-01 -0.202205D+02  0.143928D+02
      2  -0.117395D+02 -0.116158D+02  0.746770D+00  0.169067D+02 -0.212604D+02
      3  -0.722724D-02 -0.542130D+01 -0.815118D+00  0.331374D+01  0.686760D+01
      4   0.599075D+01 -0.187630D+02  0.412058D+01  0.125099D+02 -0.182083D+01
      5  -0.286986D+01  0.190657D+01 -0.438716D+01 -0.605992D+00 -0.432897D+01
      6   0.428767D+01 -0.116945D+01  0.238025D+01 -0.255147D+01  0.103144D+02
                51            52            53            54            55 
      1  -0.426260D+01  0.363913D+01 -0.212713D+01 -0.677775D+01  0.228678D+02
      2   0.692535D+01 -0.458392D+01  0.897370D+01 -0.398969D+01 -0.114440D+02
      3  -0.266275D+01  0.944788D+00 -0.684657D+01  0.107674D+02 -0.114238D+02
      4  -0.410241D+01  0.115053D+01 -0.768770D+01 -0.147119D+02 -0.298000D+01
      5  -0.935002D+01  0.827861D+01 -0.152592D+02  0.640507D+01  0.178627D+01
      6   0.557183D+01 -0.488696D+01  0.130152D+02 -0.285751D+01 -0.316518D+01
                56            57            58            59            60 
      1  -0.140222D+02 -0.370129D+01 -0.189043D+02  0.486272D+01 -0.868240D+01
      2   0.106037D+02  0.432309D+01  0.119717D+02  0.123140D+01  0.683971D+01
      3   0.341846D+01 -0.621803D+00  0.693255D+01 -0.609411D+01  0.184269D+01
      4  -0.642574D+01 -0.368933D+01 -0.132441D+02  0.806797D+01 -0.577918D+01
      5  -0.556755D+01 -0.587611D+01 -0.755185D+01 -0.706535D+01  0.129945D+02
      6   0.375206D+01  0.408445D+01  0.312784D+00  0.816354D+01 -0.159798D+02
                61            62            63            64            65 
      1  -0.638487D+00 -0.754651D+01  0.109729D+02 -0.479610D+02  0.140871D+02
      2   0.460335D+01  0.545011D+00 -0.981499D+01  0.245931D+02 -0.941229D+01
      3  -0.396486D+01  0.700149D+01 -0.115794D+01  0.233680D+02 -0.467484D+01
      4  -0.111768D+02  0.178190D+01  0.192791D+02  0.156843D+02  0.329822D+01
      5  -0.147106D+02  0.183511D+02 -0.336273D+01 -0.747686D+01  0.596546D+01
      6   0.155926D+02 -0.221290D+02  0.109219D+02  0.256336D+01  0.156569D+01
                66            67            68            69            70 
      1  -0.547297D+01  0.193992D+02  0.723883D+01  0.893300D+01  0.134747D+01
      2  -0.184487D+01 -0.118844D+02 -0.108110D+02 -0.442070D+00  0.217459D+01
      3   0.731784D+01 -0.751480D+01  0.357218D+01 -0.849093D+01 -0.352205D+01
      4   0.402127D+01 -0.290705D+01 -0.132938D+00  0.629300D+01  0.632595D+01
      5   0.724791D+01  0.103027D+02  0.741479D+01 -0.415876D+01 -0.298905D+01
      6   0.774373D+00  0.245131D+01 -0.103445D+01 -0.470557D+01 -0.301077D+01
                71            72            73            74            75 
      1   0.372428D+01  0.149282D+02  0.305048D+02  0.108209D+02  0.117620D+01
      2   0.897710D+01  0.163416D+02 -0.164286D+02 -0.789499D+01 -0.178149D+01
      3  -0.127014D+02 -0.312698D+02 -0.140761D+02 -0.292590D+01  0.605283D+00
      4   0.430950D-01 -0.134724D+02  0.134823D+02  0.120751D+02 -0.512385D+01
      5  -0.130199D+02 -0.278769D+02 -0.566211D+01 -0.316153D+01  0.104767D+02
      6  -0.166949D+01 -0.122351D+02 -0.894966D+00 -0.823342D+01 -0.505359D+01
                76            77            78            79            80 
      1  -0.773219D+01 -0.756801D+01 -0.872870D-01 -0.685420D+01 -0.168756D+01
      2   0.908486D+01  0.161625D+02  0.275070D+01  0.419590D+01 -0.291870D+01
      3  -0.135267D+01 -0.859448D+01 -0.266342D+01  0.265831D+01  0.460626D+01
      4   0.135756D+02  0.973100D+01 -0.618693D+01 -0.661832D+01 -0.650220D+01
      5  -0.524582D+01 -0.525026D+01 -0.345954D+01  0.112699D+02  0.728474D+01
      6  -0.636553D+00 -0.201851D+01  0.112302D+02  0.403207D+01  0.111504D+02
                81            82            83            84            85 
      1  -0.816679D+01 -0.108864D+02 -0.550851D+01 -0.908864D+00  0.219268D+02
      2  -0.514245D+01  0.802146D+01  0.768067D+01  0.256259D+01 -0.189569D+02
      3   0.133092D+02  0.286493D+01 -0.217216D+01 -0.165373D+01 -0.296994D+01
      4   0.900247D+01  0.323897D+00 -0.330004D+01  0.228135D+01 -0.117101D+01
      5  -0.164872D+01 -0.140648D+01  0.108312D+01 -0.759264D+01 -0.245288D+01
      6  -0.146781D+01 -0.637400D+00  0.181333D+01  0.974341D+01 -0.349342D+01
                86            87            88            89            90 
      1   0.424662D+02  0.258951D+01  0.529389D+01  0.804074D+01  0.321785D+02
      2  -0.394383D+02 -0.271038D+01 -0.540360D+01 -0.105708D+02 -0.300352D+02
      3  -0.302787D+01  0.120867D+00  0.109706D+00  0.253003D+01 -0.214325D+01
      4  -0.612604D+01 -0.265297D+01 -0.308113D+01 -0.407371D+01 -0.819489D+01
      5  -0.369409D+01 -0.366038D+01 -0.276781D+01 -0.100547D+02 -0.186013D+01
      6  -0.539256D+01 -0.274557D+02 -0.774544D+01 -0.446349D+02 -0.533812D+01
                91            92            93            94            95 
      1   0.489016D+02  0.233294D+02 -0.223025D+01  0.206792D+02  0.139330D+02
      2  -0.194733D+02 -0.597434D+01  0.116633D+01 -0.192703D+01  0.385208D+01
      3  -0.294283D+02 -0.173550D+02  0.106392D+01 -0.187521D+02 -0.177850D+02
      4   0.451169D+02  0.322417D+02 -0.211251D+01  0.380795D+02  0.370682D+02
      5  -0.525105D+01 -0.258171D+01  0.809171D+01 -0.527900D+01 -0.442680D+01
      6  -0.774212D+00 -0.649163D+00  0.331898D+01 -0.225054D+01 -0.194639D+01
                96            97            98            99           100 
      1  -0.183465D+01 -0.818922D+00 -0.621320D+00  0.499510D+00  0.940493D+02
      2   0.956249D+00 -0.714669D+00 -0.939984D+00  0.362294D+00 -0.519651D+02
      3   0.878401D+00  0.153359D+01  0.156130D+01 -0.861803D+00 -0.420841D+02
      4  -0.362299D+01 -0.402684D+01 -0.391590D+01  0.226796D+01 -0.316042D+02
      5   0.569117D+01  0.194054D+01  0.109581D+01 -0.744387D+00  0.118702D+02
      6   0.453714D+01  0.930253D+00  0.170850D+01 -0.975869D+00 -0.414637D+00
               101           102           103           104           105 
      1  -0.207221D+02  0.819112D+01 -0.196878D+02  0.132654D+02 -0.306619D+01
      2   0.101238D+02 -0.554308D+01  0.849581D+01 -0.515212D+01  0.211542D+01
      3   0.105983D+02 -0.264804D+01  0.111920D+02 -0.811331D+01  0.950779D+00
      4   0.165120D+02 -0.287235D+01  0.226972D+02 -0.126249D+02  0.271786D+01
      5  -0.264280D+01  0.115349D+02 -0.522320D+01  0.278121D+01 -0.358347D+01
      6   0.683350D+00 -0.183061D+01  0.150079D+01 -0.689085D+00  0.240700D+01
               106           107           108           109           110 
      1   0.997409D+01 -0.310194D+01  0.270491D+01 -0.392006D+01  0.646654D+01
      2  -0.532001D+01  0.139250D+01 -0.162676D+01  0.528919D+01 -0.592812D+01
      3  -0.465408D+01  0.170944D+01 -0.107814D+01 -0.136912D+01 -0.538422D+00
      4  -0.611061D+01  0.308434D+01 -0.197688D+01  0.753873D+00  0.678888D+01
      5   0.320343D+01 -0.844900D+00  0.222952D+01 -0.337083D+00 -0.629808D+00
      6  -0.602409D+00  0.111414D+01 -0.800363D+00 -0.144881D+01  0.212427D+01
               111           112           113           114           115 
      1  -0.184636D+01  0.380220D+01 -0.371001D+02  0.718412D+01 -0.126709D+01
      2   0.120774D+01 -0.284288D+01  0.513804D+02 -0.709448D+01  0.134909D+01
      3   0.638619D+00 -0.959319D+00 -0.142803D+02 -0.896430D-01 -0.819988D-01
      4  -0.773279D+00  0.610646D+01  0.188042D+02 -0.386303D+01 -0.102018D+01
      5   0.130160D+01 -0.905100D+00 -0.454118D+01  0.252313D+01  0.753819D+00
      6  -0.110467D+01  0.135954D+00 -0.133828D+02  0.969775D+01 -0.153240D+00
               116           117           118           119           120 
      1   0.747726D+01 -0.328419D+01  0.163235D+01 -0.298445D+01  0.566474D+00
      2  -0.916932D+01  0.349168D+01  0.316336D+01 -0.273071D+01  0.643424D-01
      3   0.169206D+01 -0.207493D+00 -0.479572D+01  0.571516D+01 -0.630817D+00
      4  -0.302655D+01 -0.103359D+00 -0.107459D+02  0.154109D+02 -0.275166D+01
      5   0.554217D+00 -0.167554D+00  0.181570D+01 -0.248500D+01  0.295790D+01
      6   0.535024D+01 -0.317924D+01 -0.178137D+01  0.178950D+01 -0.188659D+01
               121           122           123           124           125 
      1   0.843142D+00 -0.246487D+02  0.428704D+01  0.329534D+00  0.437910D+01
      2  -0.798919D+01  0.443645D+02 -0.512893D+01  0.706846D+00 -0.721753D+01
      3   0.714605D+01 -0.197158D+02  0.841893D+00 -0.103638D+01  0.283843D+01
      4   0.178133D+02 -0.425733D+02  0.724964D+01 -0.353660D+01  0.854519D+01
      5  -0.283507D+01  0.645728D+01 -0.532862D+01  0.149140D+01 -0.192133D+01
      6   0.284298D+01 -0.109197D+02  0.924798D+01 -0.137595D+01  0.534120D+01
               126           127           128           129           130 
      1  -0.276655D+01  0.826626D+00 -0.141620D+01  0.270825D+01  0.390610D+01
      2   0.338850D+01 -0.633606D+00  0.330493D+00 -0.201948D+01 -0.399167D+01
      3  -0.621959D+00 -0.193020D+00  0.108571D+01 -0.688768D+00  0.855681D-01
      4  -0.221773D+01 -0.410351D+01  0.706654D+01 -0.360755D+01  0.104506D+02
      5   0.142057D+01  0.464991D+01 -0.279816D+01  0.743129D+01 -0.324602D+01
      6  -0.299615D+01 -0.530872D+01  0.101031D+01 -0.188805D+01  0.389551D+01
               131           132           133           134           135 
      1  -0.140845D+02  0.892933D+01 -0.254297D+00  0.109436D+02 -0.154052D+02
      2   0.144631D+02 -0.720520D+01 -0.103168D+01 -0.532094D+01 -0.182626D+00
      3  -0.378559D+00 -0.172413D+01  0.128597D+01 -0.562269D+01  0.155878D+02
      4  -0.145663D+02  0.682348D+01 -0.568599D+01  0.920648D+01 -0.989538D+01
      5   0.721386D+01 -0.911414D+01  0.100860D+02 -0.102559D+02  0.156165D+02
      6  -0.159399D+02  0.173197D+02 -0.731632D+01  0.183107D+02 -0.228473D+02
               136           137           138           139           140 
      1  -0.208260D+02  0.301682D+02  0.723938D+01  0.290195D+02  0.654949D+01
      2  -0.766356D+01 -0.173006D+02 -0.911114D+01 -0.149316D+02 -0.892696D+01
      3   0.284896D+02 -0.128676D+02  0.187176D+01 -0.140880D+02  0.237747D+01
      4   0.388151D+02 -0.165844D+02  0.494910D+01 -0.859835D+01 -0.258935D+01
      5   0.443630D+01 -0.906062D-01  0.499592D+01  0.256206D+01  0.756543D+00
      6  -0.290749D+01 -0.105203D+02 -0.626213D+01 -0.942564D+01 -0.630379D+01
               141           142           143           144           145 
      1   0.284551D+01  0.541485D+01  0.304261D+01 -0.260042D+01  0.315408D+01
      2  -0.179678D+02 -0.848307D+01 -0.123873D+02  0.136629D+02 -0.392199D+01
      3   0.151223D+02  0.306822D+01  0.934468D+01 -0.110625D+02  0.767915D+00
      4  -0.851052D-01  0.164359D+02 -0.692415D+01 -0.175467D+02  0.284080D+00
      5  -0.153889D+02  0.998555D+01 -0.176617D+02  0.233354D+01  0.381153D+01
      6   0.643113D+01 -0.133720D+02  0.108107D+02  0.475929D+01  0.123880D+01
               146           147           148           149           150 
      1   0.903227D+00  0.784669D+01  0.675630D+00 -0.654909D+01 -0.641221D+01
      2   0.269740D+00  0.332168D+00 -0.153049D+01  0.167305D+01 -0.213901D+01
      3  -0.117297D+01 -0.817886D+01  0.854862D+00  0.487604D+01  0.855122D+01
      4  -0.108361D+01  0.610507D+00  0.352618D+01  0.615589D+01  0.691718D+01
      5   0.298807D-01  0.447574D+00  0.356614D+01  0.609377D+01  0.980403D+01
      6  -0.939588D+00 -0.167559D+01  0.153296D+01  0.702513D+01  0.122096D+02
               151           152           153           154           155 
      1   0.473128D+01 -0.426235D+01 -0.175216D+02  0.775555D+02 -0.887145D+01
      2  -0.803123D+01 -0.265307D+01 -0.233233D+02 -0.438166D+02  0.481116D+01
      3   0.329995D+01  0.691542D+01  0.408448D+02 -0.337389D+02  0.406029D+01
      4   0.261993D+01  0.797614D+01  0.853196D+01 -0.878137D+01  0.110183D+02
      5   0.139337D+02  0.775687D+01  0.364122D+02  0.175802D+02 -0.214923D+01
      6   0.247360D+01  0.787632D+01  0.128555D+02 -0.134363D+01  0.141409D+01
               156           157           158           159           160 
      1   0.615161D+01 -0.148357D+02  0.764359D+01 -0.247447D+01 -0.198479D+01
      2  -0.569707D+01  0.837712D+01 -0.275435D+01  0.115569D+01 -0.436469D+00
      3  -0.454535D+00  0.645853D+01 -0.488924D+01  0.131878D+01  0.242126D+01
      4  -0.618063D+00  0.130445D+02 -0.601956D+01  0.580529D+00 -0.588973D+00
      5   0.113333D+02 -0.491879D+01  0.130838D+01 -0.203609D+01  0.109437D+02
      6  -0.505394D+00  0.230169D+01 -0.127629D+01  0.236710D+01 -0.872897D+00
               161           162           163           164           165 
      1  -0.371955D+00  0.551869D+01 -0.568077D+00  0.275659D+01  0.734906D+00
      2  -0.742246D+00 -0.561866D+01  0.159441D+01 -0.261149D+01 -0.147995D+01
      3   0.111420D+01  0.999733D-01 -0.102633D+01 -0.145099D+00  0.745044D+00
      4  -0.876017D+00 -0.410070D+00  0.285823D+01  0.807299D+01  0.468381D+01
      5  -0.778785D+00  0.329007D+01  0.185394D+01  0.319638D+01  0.582772D+01
      6   0.137557D+01  0.285099D+00  0.647087D+01  0.763616D+00  0.143164D+01
               166           167           168           169           170 
      1  -0.427805D+01 -0.325451D+02 -0.116389D+02 -0.208562D+01 -0.262883D+02
      2   0.594341D+01  0.411046D+02  0.138157D+02  0.279533D+01  0.276894D+02
      3  -0.166535D+01 -0.855950D+01 -0.217679D+01 -0.709713D+00 -0.140107D+01
      4   0.705362D+01  0.106156D+02  0.397536D+01  0.849376D+01  0.812190D+01
      5   0.266384D+01  0.420468D+01  0.325771D+01  0.559542D+01  0.744209D+01
      6   0.327104D+01  0.219194D+02  0.177738D+02  0.651999D+01  0.326125D+02
               171           172           173           174           175 
      1  -0.224750D+02  0.274882D+00  0.389308D+01 -0.319332D+01 -0.445023D+01
      2   0.165874D+02  0.194369D+00 -0.403860D+01  0.202942D+01  0.524883D+01
      3   0.588760D+01 -0.469251D+00  0.145519D+00  0.116391D+01 -0.798601D+00
      4   0.620062D+01  0.745820D+00  0.670641D+01 -0.432254D+01  0.570918D+01
      5   0.615701D+01 -0.105883D+01 -0.256813D+01  0.376751D+01 -0.161628D+01
      6   0.263119D+02 -0.518898D+01  0.237729D+01 -0.138636D+01 -0.207201D+01
               176           177           178           179           180 
      1  -0.274279D+02  0.121048D+02  0.109411D+01  0.201268D+02 -0.208571D+02
      2   0.333166D+02 -0.134278D+02 -0.129920D+01 -0.199059D+02  0.141742D+02
      3  -0.588870D+01  0.132300D+01  0.205087D+00 -0.220856D+00  0.668286D+01
      4   0.778397D+01 -0.295080D+01 -0.616175D+01 -0.530153D+01  0.470538D+01
      5  -0.376196D+01  0.358863D+01  0.410956D+01  0.626993D+01 -0.520123D+01
      6  -0.194485D+02  0.178625D+02  0.507294D+01  0.272179D+02 -0.230418D+02
               181           182           183           184           185 
      1   0.380433D+01 -0.187233D+01 -0.405044D+01  0.121800D+01 -0.561972D+00
      2  -0.321505D+01  0.516724D+00  0.374421D+01 -0.258703D+01 -0.521274D+01
      3  -0.589277D+00  0.135561D+01  0.306230D+00  0.136903D+01  0.577471D+01
      4  -0.273516D+01  0.237958D+01  0.255183D+00 -0.557569D+00  0.783790D+01
      5  -0.458122D+01 -0.141676D+01  0.459167D+01 -0.607379D+01 -0.314792D+01
      6   0.689636D+00  0.113582D+01  0.530387D+00  0.158395D+01 -0.270609D+01
               186           187           188           189           190 
      1   0.232576D+01 -0.427012D+01 -0.978295D+00 -0.798403D+01  0.442873D+02
      2   0.118724D+02  0.622169D+01  0.988450D+01 -0.195032D+02 -0.979110D+01
      3  -0.141982D+02 -0.195157D+01 -0.890620D+01  0.274872D+02 -0.344962D+02
      4  -0.318224D+01  0.145481D+01 -0.580826D+01  0.510156D+01 -0.508603D+02
      5   0.122093D+02  0.896170D+01  0.468612D+01 -0.205217D+02 -0.141237D+02
      6  -0.227331D+01 -0.147751D+01  0.310185D+01  0.767687D+01  0.554859D+01
               191           192           193           194           195 
      1  -0.135249D+02 -0.104280D-01 -0.106181D+02  0.250575D+01 -0.961056D+00
      2  -0.448493D+01  0.208283D+01 -0.391231D+01  0.957589D+01  0.121554D+01
      3   0.180098D+02 -0.207240D+01  0.145304D+02 -0.120816D+02 -0.254482D+00
      4   0.321237D+02  0.315888D+01  0.259068D+02 -0.215978D+02 -0.148446D+01
      5   0.656573D+01  0.103426D+02  0.462741D+01 -0.344147D+01 -0.285627D+01
      6  -0.439972D+01 -0.686004D+01 -0.220343D+01  0.396121D+01  0.388247D+01
               196           197           198           199           200 
      1   0.449500D+01 -0.108941D+01  0.351702D+01 -0.629868D+01 -0.170934D+02
      2   0.117875D+01 -0.128298D+01 -0.256935D+01  0.890470D+01  0.188543D+02
      3  -0.567375D+01  0.237239D+01 -0.947673D+00 -0.260601D+01 -0.176091D+01
      4  -0.697439D+01  0.470261D+01 -0.375434D+01  0.318509D+01  0.200410D+01
      5   0.689527D+01 -0.193205D+01  0.284294D+00  0.286907D+01  0.516301D+00
      6  -0.433998D+01  0.275603D+01 -0.111934D+01  0.377818D+01  0.104799D+02
               201           202           203           204           205 
      1  -0.815154D+01 -0.119345D+02 -0.269049D+02 -0.108296D+02 -0.368651D+01
      2   0.568290D+01  0.102828D+02  0.360566D+02  0.104629D+02  0.265673D+01
      3   0.246864D+01  0.165177D+01 -0.915172D+01  0.366692D+00  0.102978D+01
      4  -0.304809D+00  0.775964D+01 -0.667713D+01 -0.226849D+01 -0.163036D+00
      5  -0.118624D+01  0.299036D+01 -0.179966D+01 -0.113418D+01  0.176746D+01
      6   0.865321D+01  0.419864D+01  0.176994D+02  0.120002D+02  0.398650D+01
               206           207 
      1  -0.887813D+01 -0.863867D+01
      2   0.787322D+01  0.389533D+01
      3   0.100491D+01  0.474334D+01
      4  -0.942079D+00  0.105544D+01
      5  -0.896401D-01 -0.184729D+01
      6   0.102719D+02  0.800920D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.226347D+00      0.575317D+00      0.191905D+01
   y          0.189666D+00      0.482084D+00      0.160806D+01
   z         -0.308094D+00     -0.783097D+00     -0.261213D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.139945D+03      0.207377D+02      0.230738D+02
   yx        -0.282459D+01     -0.418560D+00     -0.465711D+00
   yy         0.123418D+03      0.182887D+02      0.203489D+02
   zx         0.287768D+01      0.426428D+00      0.474465D+00
   zy        -0.388014D+01     -0.574978D+00     -0.639749D+00
   zz         0.804671D+02      0.119240D+02      0.132672D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.124687D+03      0.184767D+02      0.205581D+02
   aniso      0.569560D+02      0.844000D+01      0.939077D+01
   xx         0.152086D+03      0.225368D+02      0.250756D+02
   yx        -0.233996D+01     -0.346746D+00     -0.385807D+00
   yy         0.133162D+03      0.197326D+02      0.219555D+02
   zx         0.267630D+01      0.396587D+00      0.441262D+00
   zy        -0.373533D+01     -0.553519D+00     -0.615873D+00
   zz         0.888130D+02      0.131607D+02      0.146433D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.66220243         -0.83929219          3.54989462
     6          4.66476626          1.25623974          2.31679814
     6          1.31896453         -1.76693413          2.83444931
     6         -0.06333214         -0.63268118          0.89704235
     6          0.94850526          1.47008224         -0.33271392
     6          3.30472591          2.39897540          0.39150176
     6         -2.60382006         -1.68251464          0.10436484
     6         -4.06600245          0.33679553         -1.34717779
     8         -2.56923868          1.34538785         -3.33249771
     6         -0.52623406          2.78670377         -2.39072981
     1          4.70441885         -1.74128215          5.06108897
     1          6.49630156          1.99076441          2.85463850
     1          0.53275239         -3.39560187          3.79687613
     1          4.08091096          4.03222583         -0.57264486
     1         -3.67930483         -2.14309546          1.81176297
     6         -2.30054647         -4.09564630         -1.47271244
     1         -4.65982098          1.85995797         -0.06673155
     1         -5.74753054         -0.45747117         -2.23388248
     1         -1.23032680          4.60840651         -1.67092280
     1          0.69143089          3.18777572         -4.00508959
     1         -1.34355663         -3.67049862         -3.24745136
     1         -4.14225117         -4.92038558         -1.90762434
     1         -1.18449193         -5.50425137         -0.46433365

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.426765D+00      0.108473D+01      0.361827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.126668D+03      0.187703D+02      0.208848D+02
   yx         0.148868D+02      0.220599D+01      0.245450D+01
   yy         0.112526D+03      0.166746D+02      0.185530D+02
   zx         0.207075D+02      0.306853D+01      0.341420D+01
   zy        -0.141025D+02     -0.208978D+01     -0.232519D+01
   zz         0.104636D+03      0.155055D+02      0.172522D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.124687D+03      0.184767D+02      0.205581D+02
   aniso      0.569560D+02      0.844000D+01      0.939077D+01
   xx         0.137386D+03      0.203585D+02      0.226519D+02
   yx         0.151239D+02      0.224113D+01      0.249359D+01
   yy         0.122059D+03      0.180873D+02      0.201249D+02
   zx         0.225648D+02      0.334376D+01      0.372044D+01
   zy        -0.144438D+02     -0.214036D+01     -0.238147D+01
   zz         0.114616D+03      0.169843D+02      0.188976D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K08-27-02\Freq\RLC-PBEPBE\Gen\C10H12O1\PIERPA\19-Jul-2021
 \0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,
 Tight) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02
 50000000,3/108=0250000000,3/119=1000000000,3/120=1000000000,3/130=-1,3
 /131=-1)\\ROA calculations.\\0,1\C,2.556893,0.962771,-0.130925\C,2.806
 469,-0.381564,0.128707\C,1.251477,1.398833,-0.297104\C,0.177898,0.5119
 52,-0.211676\C,0.433041,-0.835657,0.047582\C,1.746757,-1.271183,0.2137
 6\C,-1.245374,1.001383,-0.374974\C,-2.153843,-0.180074,-0.70573\O,-1.9
 7533,-1.227911,0.235605\C,-0.702105,-1.829642,0.110251\H,3.377111,1.66
 524,-0.2036\H,3.821503,-0.731857,0.264537\H,1.055538,2.445124,-0.50240
 8\H,1.938106,-2.319299,0.415829\H,-1.27568,1.69661,-1.220779\C,-1.7285
 41,1.739012,0.880156\H,-1.947031,-0.549488,-1.71978\H,-3.204706,0.1052
 94,-0.652132\H,-0.67984,-2.462779,-0.79078\H,-0.58705,-2.485409,0.9744
 13\H,-1.772163,1.053131,1.726763\H,-2.725724,2.156512,0.723367\H,-1.05
 3454,2.555217,1.139441\\Version=ES64L-G16RevA.03\State=1-A\HF=-463.727
 0846\RMSD=1.239e-09\RMSF=4.846e-06\ZeroPoint=0.1974092\Thermal=0.20647
 21\Dipole=0.2263472,0.1896665,-0.3080942\DipoleDeriv=-0.0070004,0.0557
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 K N O W I N G  IS A BARRIER WHICH PREVENTS LEARNING

                     -- TEACHING OF THE BENE GESSERIT
 Job cpu time:       0 days 15 hours 30 minutes 24.7 seconds.
 Elapsed time:       0 days  1 hours 57 minutes 27.6 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Mon Jul 19 19:06:52 2021.
